Geometry & MOs

Info

ID:	298748
PubChem CID:	117655398
Reduced:	NPO6C39H77 (1)
Stoich.:	ABC6D39E77 (1)
Weight, g/mol:	184.040341
ΔH_f, kcal/mol:	-436.09
Dipole, Da:	4.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751330
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4,7,8-tetrahydro-1H-2,7-naphthyridin-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations