Geometry & MOs

Info

ID:

416323

PubChem CID:

135089336

Reduced:

O3N4C18H22 (2)

Stoich.:

A3B4C18D22 (2)

Weight, g/mol:

381.181919

ΔHf, kcal/mol:

-174.89

Dipole, Da:

13.12

IP(EA), eV:

 -9.43(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@@H](C(=O)N1)C(C)C)C)C)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3)C4=CC=CC=C4

DOS

IR

Vibrations