Geometry & MOs

Info

ID:	78728
PubChem CID:	49703955
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-73.3
Dipole, Da:	3.03
IP(EA), eV:	-8.22(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC2=C(C=C1)OCCO2)N3C(=O)C=CC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations