Geometry & MOs

Info

ID:	177401
PubChem CID:	76180870
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	10.56
IP(EA), eV:	-9.33(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-[3-(cyclopropylmethoxy)phenyl]-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=C2C(=C(C(=O)N(C2=O)CC=C)C#N)C)O)C

DOS

IR

Vibrations