Geometry & MOs

Info

ID:	341763
PubChem CID:	127264456
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-44.51
Dipole, Da:	4.23
IP(EA), eV:	-8.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)[C@H]1CC2=C([C@@H](N1)C3=CC4=C(C=C3)OCO4)NC5=CC=CC=C25

DOS

IR

Vibrations