Geometry & MOs

Info

ID:	149628
PubChem CID:	53789302
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	349.144471
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	1.84
IP(EA), eV:	-8.9(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-N-[2-(2-chlorophenyl)ethyl]-8-methoxy-3-methyl-10-methylidene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-amine

Drug info:

PubChemData

Smile

CC12[C@H](CC3C1C(OC(C3=C)O2)OC)NCCC4=CC=CC=C4Cl

DOS

IR

Vibrations