Geometry & MOs

Info

ID:	273767
PubChem CID:	103799585
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	4.36
IP(EA), eV:	-10.18(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=NC=C(C=C1)C#N

DOS

IR

Vibrations