Geometry & MOs

Info

ID:	133945
PubChem CID:	51617782
Reduced:	NC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	45.23
Dipole, Da:	1.09
IP(EA), eV:	-8.75(1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S)-4-(1-ethylpyrazol-4-yl)-2-methyl-N-(4-methylpyridin-2-yl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C#C[C@@H](CN1CCCC1)N2CCCC2

DOS

IR

Vibrations