Geometry & MOs

Info

ID:	362272
PubChem CID:	127307291
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	3.37
IP(EA), eV:	-8.5(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2=C(N=CC=C2)N(C)C)C

DOS

IR

Vibrations