Geometry & MOs

Info

ID:	241789
PubChem CID:	96024273
Reduced:	Cl2O2N3C15H19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	3.75
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-cyclopent-3-en-1-yl-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC(=NC(=C2)Cl)Cl)C(=O)N3CCOCC3

DOS

IR

Vibrations