Geometry & MOs

Info

ID:	175616
PubChem CID:	75927817
Reduced:	ClO2N5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	359.163864
ΔH_f, kcal/mol:	-0.36
Dipole, Da:	5.19
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[1-[(2-chloropyridin-4-yl)methyl]piperidin-1-ium-2-yl]methyl]-3-phenylurea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(C(=O)NC2=O)N(CC3=CC=CC=C3)CC4=CC(=NC=C4)Cl)N

DOS

IR

Vibrations