Geometry & MOs

Info

ID:	78717
PubChem CID:	49703908
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-52.45
Dipole, Da:	5.99
IP(EA), eV:	-8.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C(C)C(=O)N3CCCC4=C3C=CC(=C4)C

DOS

IR

Vibrations