Geometry & MOs

Info

ID:

416291

PubChem CID:

135089304

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

358.200491

ΔHf, kcal/mol:

-183.35

Dipole, Da:

9.81

IP(EA), eV:

 -8.76(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-4-(4-methoxyphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)CCC3=CC=C(N3)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations