Geometry & MOs

Info

ID:	408242
PubChem CID:	135081004
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	3.92
IP(EA), eV:	-10.88(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-2-phenylpentanenitrile

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CC(=O)OC

DOS

IR

Vibrations