Geometry & MOs

Info

ID:	241732
PubChem CID:	96024120
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	0.78
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC(=CC=C3)C(=O)OC)C=C1)C

DOS

IR

Vibrations