Geometry & MOs

Info

ID:	23783
PubChem CID:	606087
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	7.9
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2C(NCCC2=C1)CC3=CC=CC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations