Geometry & MOs

Info

ID:	78641
PubChem CID:	49703305
Reduced:	ClO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-35.67
Dipole, Da:	1.96
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2Cl)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations