Geometry & MOs

Info

ID:	137559
PubChem CID:	52228275
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	367.213401
ΔH_f, kcal/mol:	26.37
Dipole, Da:	1.35
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

CC[C@@H]1CCCN(C1)CC2=CN3C=CC=C(C3=N2)C

DOS

IR

Vibrations