Geometry & MOs

Info

ID:	241733
PubChem CID:	96024124
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	17.16
Dipole, Da:	5.96
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CC3=CC=C(C=C3)[N+](=O)[O-])C=C1)C

DOS

IR

Vibrations