Geometry & MOs

Info

ID:	198666
PubChem CID:	79132845
Reduced:	NOC15H27 (1)
Stoich.:	ABC15D27 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-81.79
Dipole, Da:	3.46
IP(EA), eV:	-10.34(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-hydroxypropyl)-2,4-dihydrochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(C#N)C(CC(C)(C)C)O

DOS

IR

Vibrations