Geometry & MOs

Info

ID:

144151

PubChem CID:

53321659

Reduced:

O11N13C49H83 (1)

Stoich.:

A11B13C49D83 (1)

Weight, g/mol:

377.173942

ΔHf, kcal/mol:

-557.35

Dipole, Da:

8.63

IP(EA), eV:

 -9.18(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCN)[C@@H](C)O

DOS

IR

Vibrations