Geometry & MOs

Info

ID:	224210
PubChem CID:	85340122
Reduced:	N2O3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	5.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986196
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(azepan-1-yl)ethyl]-2,3,4,8-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

Drug info:

PubChemData

Smile

C1CC1CC[N+]2=C3C(C=CC=N3)C(=O)OC2=O

DOS

IR

Vibrations