Geometry & MOs

Info

ID:	31186
PubChem CID:	855058
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-9.97
Dipole, Da:	4.28
IP(EA), eV:	-8.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations