Geometry & MOs

Info

ID:	279593
PubChem CID:	103844419
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	-62.28
Dipole, Da:	5.83
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C=CC=C1[N+](=O)[O-])C)CO

DOS

IR

Vibrations