Geometry & MOs

Info

ID:	386418
PubChem CID:	134981685
Reduced:	N2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	55.43
Dipole, Da:	4.78
IP(EA), eV:	-8.43(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-6-methylidene-3-propan-2-yloxan-2-one

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=C2C=CN(C2=CC=C1)C

DOS

IR

Vibrations