Geometry & MOs

Info

ID:	280709
PubChem CID:	103850849
Reduced:	ClN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	6.04
IP(EA), eV:	-10.2(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-N-(4-hydroxy-1-methoxybutan-2-yl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C(=CC=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations