Geometry & MOs

Info

ID:	166417
PubChem CID:	74685969
Reduced:	N3O3C20H38 (1)
Stoich.:	A3B3C20D38 (1)
Weight, g/mol:	310.148141
ΔH_f, kcal/mol:	-158.84
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752886
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)NC(C(C)C)C(=O)NCC[NH+]2CCOCC2

DOS

IR

Vibrations