Geometry & MOs

Info

ID:	130663
PubChem CID:	51091930
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	333.15896
ΔH_f, kcal/mol:	-105.77
Dipole, Da:	2.52
IP(EA), eV:	-8.77(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(N2)CCCC3=O)C)OC

DOS

IR

Vibrations