Geometry & MOs

Info

ID:	241846
PubChem CID:	96024389
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	229.18305
ΔH_f, kcal/mol:	7.77
Dipole, Da:	1.69
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations