Geometry & MOs

Info

ID:	359527
PubChem CID:	127298801
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	98.91
Dipole, Da:	7.77
IP(EA), eV:	-8.84(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylpiperazin-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC2=NN=NN2C3=CC=CC=C3)C

DOS

IR

Vibrations