Geometry & MOs

Info

ID:	241682
PubChem CID:	96023997
Reduced:	NF2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	1.66
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-2-[(1S)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]phenol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations