Geometry & MOs

Info

ID:	194578
PubChem CID:	78558471
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	378.028646
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	2.71
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-cyano-4-(4,5-dichloro-6-oxopyridazin-1-yl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)CC2=COC3=C2C=CC(=C3)C

DOS

IR

Vibrations