Geometry & MOs

Info

ID:	365239
PubChem CID:	127317087
Reduced:	OSN4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	7.0
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CCC(=O)NC3=C(C4=C(S3)CCCCC4)C#N

DOS

IR

Vibrations