Geometry & MOs

Info

ID:	48840
PubChem CID:	11528387
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	157.052764
ΔH_f, kcal/mol:	-109.11
Dipole, Da:	2.64
IP(EA), eV:	-9.46(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopenta[c]pyran-3-ylacetonitrile

Drug info:

PubChemData

Smile

CCC1(C(CCC=C1C)O)O

DOS

IR

Vibrations