Geometry & MOs

Info

ID:	372685
PubChem CID:	131302144
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-161.29
Dipole, Da:	4.26
IP(EA), eV:	-9.72(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(=O)C2(C1)CCCC2

DOS

IR

Vibrations