Geometry & MOs

Info

ID:	198646
PubChem CID:	79129621
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	3.91
IP(EA), eV:	-10.33(1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-4-methoxybutan-2-yl)-1,3-dihydroindene-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(C)C(C)(C1(CCCCCC1)C#N)O

DOS

IR

Vibrations