Geometry & MOs

Info

ID:	356672
PubChem CID:	127292153
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	311.232125
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	1.88
IP(EA), eV:	-9.11(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylpiperazin-1-yl)propan-2-yl]-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)NCCN2CCOCC2

DOS

IR

Vibrations