Geometry & MOs

Info

ID:	164915
PubChem CID:	74471714
Reduced:	ON2C9H22 (1)
Stoich.:	AB2C9D22 (1)
Weight, g/mol:	453.161933
ΔH_f, kcal/mol:	-59.82
Dipole, Da:	4.21
IP(EA), eV:	-9.05(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-fluorophenyl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC(C[NH3+])O

DOS

IR

Vibrations