Geometry & MOs

Info

ID:	241991
PubChem CID:	96024969
Reduced:	ClNC19H22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.7
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations