Geometry & MOs

Info

ID:	291512
PubChem CID:	113020487
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	6.59
IP(EA), eV:	-8.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(cyclopropylamino)pyridazin-3-yl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)NC2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations