Geometry & MOs

Info

ID:	242049
PubChem CID:	96025233
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	2.59
IP(EA), eV:	-8.82(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-5-methylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2[C@H](C)NC(=O)C)C=C1)C

DOS

IR

Vibrations