Geometry & MOs

Info

ID:	142644
PubChem CID:	53071205
Reduced:	ClO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	496.187733
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	7.98
IP(EA), eV:	-8.54(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)OC)Cl

DOS

IR

Vibrations