Geometry & MOs

Info

ID:	360369
PubChem CID:	127301014
Reduced:	OSN4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	36.59
Dipole, Da:	1.59
IP(EA), eV:	-8.86(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)N4CCCC(C4)N5C=NC=N5)C

DOS

IR

Vibrations