Geometry & MOs

Info

ID:	78634
PubChem CID:	49703264
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-70.72
Dipole, Da:	3.12
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2F)N3C(=O)C=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations