Geometry & MOs

Info

ID:	241737
PubChem CID:	96024137
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	22.59
Dipole, Da:	5.15
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations