Geometry & MOs

Info

ID:	166197
PubChem CID:	74649633
Reduced:	O4N5C23H26 (1)
Stoich.:	A4B5C23D26 (1)
Weight, g/mol:	387.228382
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	2.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987796
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[1-phenyl-2-[(2,3,4-trimethoxybenzoyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC4C(=[N+](C(=O)N(C4=O)C)C)N=C3

DOS

IR

Vibrations