Geometry & MOs

Info

ID:	241734
PubChem CID:	96024126
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	12.48
Dipole, Da:	9.15
IP(EA), eV:	-9.11(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations