Geometry & MOs

Info

ID:	307414
PubChem CID:	125299848
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	3.24
IP(EA), eV:	-8.75(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNC(=O)N2CC(C2)C3=NC(=NO3)[C@H]4C=CC=NC4=O

DOS

IR

Vibrations