Geometry & MOs

Info

ID:	241818
PubChem CID:	96024339
Reduced:	FN2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	256.137577
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	3.76
IP(EA), eV:	-8.97(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-fluoropyridin-3-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations