Geometry & MOs

Info

ID:	73444
PubChem CID:	48417714
Reduced:	ClON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	368.104003
ΔH_f, kcal/mol:	72.24
Dipole, Da:	7.58
IP(EA), eV:	-7.96(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=C2)NC(=O)C3=C4N=CC=CN4N=C3)Cl

DOS

IR

Vibrations