Geometry & MOs

Info

ID:	374862
PubChem CID:	131349574
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	203.058243
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	5.33
IP(EA), eV:	-8.86(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-hydroxy-3-methoxy-1-benzofuran-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=C2CCNC(C2=C(O1)C)C(C)(C)C#N

DOS

IR

Vibrations