Geometry & MOs

Info

ID:	241757
PubChem CID:	96024172
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	14.74
Dipole, Da:	5.36
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(5-methyl-2-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations