Geometry & MOs

Info

ID:	341762
PubChem CID:	127264455
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-118.58
Dipole, Da:	2.53
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-1-(1,3-benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(CCC(=O)N2)C=C1

DOS

IR

Vibrations