Geometry & MOs

Info

ID:	241934
PubChem CID:	96024691
Reduced:	ClFN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	290.098604
ΔH_f, kcal/mol:	-9.47
Dipole, Da:	4.89
IP(EA), eV:	-9.16(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-3-fluoropyridin-4-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations