Geometry & MOs

Info

ID:	241825
PubChem CID:	96024350
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	263.1674
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	1.64
IP(EA), eV:	-8.94(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(1-phenylethenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C3=C(C=CC=C3F)O)C=C1)C

DOS

IR

Vibrations