Geometry & MOs

Info

ID:	241817
PubChem CID:	96024337
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	256.137577
ΔH_f, kcal/mol:	-7.18
Dipole, Da:	6.27
IP(EA), eV:	-9.08(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=CN=C3)O

DOS

IR

Vibrations