Geometry & MOs

Info

ID:	370037
PubChem CID:	127337254
Reduced:	ClON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-21.78
Dipole, Da:	6.5
IP(EA), eV:	-8.87(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)ethyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations