Geometry & MOs

Info

ID:	242078
PubChem CID:	96025593
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	289.103355
ΔH_f, kcal/mol:	21.02
Dipole, Da:	1.11
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C(N=C(S3)C)C

DOS

IR

Vibrations