Geometry & MOs

Info

ID:	62549
PubChem CID:	26719859
Reduced:	ClN2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	383.103669
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	7.18
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC)Cl

DOS

IR

Vibrations