Geometry & MOs

Info

ID:	185173
PubChem CID:	77265580
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	494.231791
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	4.94
IP(EA), eV:	-9.32(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-[4-[(4-phenylphthalazin-1-yl)amino]phenoxy]-2,3,4,4a,5,6,8,8a-octahydro-1H-quinolin-7-one

Drug info:

PubChemData

Smile

CNC1CC(C=C1)C(=O)O

DOS

IR

Vibrations