Geometry & MOs

Info

ID:	241288
PubChem CID:	96022432
Reduced:	OCl2N2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	281.048653
ΔH_f, kcal/mol:	18.37
Dipole, Da:	5.37
IP(EA), eV:	-9.4(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-dichloro-1-(imidazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=NO1)[C@@H]2C3=C(CCN2)C=C(C=C3Cl)Cl

DOS

IR

Vibrations