Geometry & MOs

Info

ID:	438725
PubChem CID:	135228478
Reduced:	ON2C33H48 (1)
Stoich.:	AB2C33D48 (1)
Weight, g/mol:	392.129156
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	2.34
IP(EA), eV:	-8.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7,7-dimethyl-6-(5-phenylmethoxypyridin-2-yl)-6,8-dihydroquinolin-5-one

Drug info:

PubChemData

Smile

CCCC(=C)/C(=C/C)/C(=C)/C=C\1/C2=CC(=C(C=C2CC(N1)C(C)C)/C(=C/NCC(C)(C)C)/C=C)OC

DOS

IR

Vibrations