Geometry & MOs

Info

ID:	198662
PubChem CID:	79132310
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-85.08
Dipole, Da:	5.06
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(hydroxy)methyl]-1,3-dihydroindene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C(C2=CC3=C(C=C2)OCCCO3)O

DOS

IR

Vibrations