Geometry & MOs

Info

ID:	435272
PubChem CID:	135187349
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	95.49
Dipole, Da:	5.67
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1(C2=CCN(C(=O)[C@@]2(C=C(C1=O)C#N)C3=CC=CC=C3)C4=NC=CN4C)C

DOS

IR

Vibrations