Geometry & MOs

Info

ID:	241116
PubChem CID:	96021249
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	2.73
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)N(CCO2)CC3=C(C=NC=C3)Cl

DOS

IR

Vibrations