Geometry & MOs

Info

ID:	145423
PubChem CID:	53522269
Reduced:	O2N4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	4.2
IP(EA), eV:	-9.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)CC1=NC(=NO1)CC

DOS

IR

Vibrations