Geometry & MOs

Info

ID:	241935
PubChem CID:	96024693
Reduced:	ClFN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	285.24565
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	5.69
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(4-propan-2-ylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3=C(C(=NC=C3)Cl)F

DOS

IR

Vibrations