Geometry & MOs

Info

ID:	370035
PubChem CID:	127337252
Reduced:	ClON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	373.166938
ΔH_f, kcal/mol:	-22.33
Dipole, Da:	5.58
IP(EA), eV:	-8.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-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=C3Cl

DOS

IR

Vibrations