Geometry & MOs

Info

ID:	242056
PubChem CID:	96025266
Reduced:	FNO2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	6.86
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-nitrophenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations