Geometry & MOs

Info

ID:	362337
PubChem CID:	127307378
Reduced:	OSN5C14H25 (1)
Stoich.:	ABC5D14E25 (1)
Weight, g/mol:	379.177503
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	4.68
IP(EA), eV:	-8.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations