Geometry & MOs

Info

ID:	394534
PubChem CID:	135023150
Reduced:	FNH18C23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	315.1987
ΔH_f, kcal/mol:	42.13
Dipole, Da:	4.1
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-3-ethyl-2,4-diphenyl-4a,5,6,7,8,8a-hexahydroquinoline

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=C1C3=CC=CC=C3)C=CC=C2F)C4=CC=CC=C4

DOS

IR

Vibrations