Geometry & MOs

Info

ID:	134515
PubChem CID:	51709454
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	391.178846
ΔH_f, kcal/mol:	-96.0
Dipole, Da:	2.65
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(2-chlorophenyl)-2-[(3,4-diethoxybenzoyl)amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](CNC(=O)[C@H](C(C)C)NC(=O)C2=CC=CO2)N(C)C

DOS

IR

Vibrations