Geometry & MOs

Info

ID:	356744
PubChem CID:	127292225
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	311.232125
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	4.79
IP(EA), eV:	-8.8(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)N2CCC(CC2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations