Geometry & MOs

Info

ID:	241850
PubChem CID:	96024397
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	10.61
Dipole, Da:	1.13
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations