Geometry & MOs

Info

ID:	136872
PubChem CID:	52116415
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-16.07
Dipole, Da:	2.01
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1R)-1-phenylethyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)CCN2C(=O)C=CC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations