Geometry & MOs

Info

ID:	371732
PubChem CID:	131271417
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	160.063663
ΔH_f, kcal/mol:	-55.73
Dipole, Da:	6.53
IP(EA), eV:	-9.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2H-1-benzofuran-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=CC=CC(=O)O)C1CC1

DOS

IR

Vibrations