Geometry & MOs

Info

ID:	187578
PubChem CID:	77594026
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	467.28964
ΔH_f, kcal/mol:	-213.45
Dipole, Da:	8.87
IP(EA), eV:	-9.96(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-2-(2,6-dimethylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCC(CC1)CCNC(=O)O)O

DOS

IR

Vibrations