Geometry & MOs

Info

ID:	241165
PubChem CID:	96021625
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	3.21
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(5-fluoro-2-methylphenyl)methyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)C3=CC(=CC(=C3)O)[N+](=O)[O-]

DOS

IR

Vibrations