Geometry & MOs

Info

ID:	241755
PubChem CID:	96024168
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	16.65
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(3-methyl-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[C@@H]2C3=C(CCN2)C=CC(=C3C)C)[N+](=O)[O-]

DOS

IR

Vibrations