Geometry & MOs

Info

ID:	130635
PubChem CID:	51091837
Reduced:	OSN6C14H14 (1)
Stoich.:	ABC6D14E14 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	80.35
Dipole, Da:	5.97
IP(EA), eV:	-9.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN(C)C(=O)C2=CC(=NC=C2)N3C=NC=N3

DOS

IR

Vibrations