Geometry & MOs

Info

ID:	134141
PubChem CID:	51651483
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	457.20871
ΔH_f, kcal/mol:	-116.01
Dipole, Da:	2.62
IP(EA), eV:	-9.18(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[4-(3,5-dimethoxybenzoyl)piperazin-1-ium-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O

DOS

IR

Vibrations