Geometry & MOs

Info

ID:	78660
PubChem CID:	49703507
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	397.082934
ΔH_f, kcal/mol:	-73.99
Dipole, Da:	4.18
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(2-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C)N2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations