Geometry & MOs

Info

ID:	241121
PubChem CID:	96021290
Reduced:	FNC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-20.66
Dipole, Da:	2.2
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-cyclohexylethyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations