Geometry & MOs

Info

ID:	261111
PubChem CID:	103218022
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	9.64
IP(EA), eV:	-9.26(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C(=O)C=C3C(=N2)CCCN3

DOS

IR

Vibrations