Geometry & MOs

Info

ID:	241731
PubChem CID:	96024119
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)O)[C@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations