Geometry & MOs

Info

ID:	241961
PubChem CID:	96024825
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	241.18305
ΔH_f, kcal/mol:	-66.29
Dipole, Da:	2.16
IP(EA), eV:	-8.78(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-cyclohex-3-en-1-yl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H](C3=CC=C(C=C3)O)O

DOS

IR

Vibrations