Geometry & MOs

Info

ID:	68633
PubChem CID:	46508803
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	346.142976
ΔH_f, kcal/mol:	32.58
Dipole, Da:	4.04
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations