Geometry & MOs

Info

ID:	241173
PubChem CID:	96021694
Reduced:	FN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	5.32
IP(EA), eV:	-9.38(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[[2-(chloromethyl)phenyl]methyl]-6-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C3=CC(=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations