Geometry & MOs

Info

ID:	241800
PubChem CID:	96024308
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	272.108026
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	2.32
IP(EA), eV:	-8.96(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-chloropyridin-3-yl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC(=O)CC[C@@H]1C2=C(CCN1)C=CC(=C2C)C

DOS

IR

Vibrations