Geometry & MOs

Info

ID:	241827
PubChem CID:	96024357
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	289.103355
ΔH_f, kcal/mol:	-27.76
Dipole, Da:	1.28
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-5-fluorophenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(C=CC(=C3)F)Cl)C=C1)C

DOS

IR

Vibrations