Geometry & MOs

Info

ID:	39125
PubChem CID:	8139728
Reduced:	N2O2C22H25 (1)
Stoich.:	A2B2C22D25 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	13.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.090314
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations