Geometry & MOs

Info

ID:	362264
PubChem CID:	127307277
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	5.26
IP(EA), eV:	-8.79(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclobutylmethyl)-1-methyl-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CN(CC1CCC1)C(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations