Geometry & MOs

Info

ID:	398085
PubChem CID:	135031682
Reduced:	O2C11H16 (2)
Stoich.:	A2B11C16 (2)
Weight, g/mol:	300.127406
ΔH_f, kcal/mol:	-207.06
Dipole, Da:	1.26
IP(EA), eV:	-8.68(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R)-4-ethyl-2-(4-fluorophenyl)-3-nitro-1,2,3,4-tetrahydroquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(CC[C@](O2)(C)CC(C3C(=O)CCCC3(C)C)O)C(=C1)OC

DOS

IR

Vibrations