Geometry & MOs

Info

ID:	37334
PubChem CID:	8019844
Reduced:	N3O3C25H28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	405.178752
ΔH_f, kcal/mol:	-40.29
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760954
Charge, e:	0

Chem-info

IUPAC name:

N,3-bis(3,4,5-trimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations