Geometry & MOs

Info

ID:	380032
PubChem CID:	134964511
Reduced:	NPO3H6C7 (1)
Stoich.:	ABC3D6E7 (1)
Weight, g/mol:	168.175225
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	0.48
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4S,4aS,7S,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)O2)P=O

DOS

IR

Vibrations