Geometry & MOs

Info

ID:	131417
PubChem CID:	51201732
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	8.43
Dipole, Da:	5.87
IP(EA), eV:	-9.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations