Geometry & MOs

Info

ID:	150295
PubChem CID:	53789983
Reduced:	N2O5C16H20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-193.64
Dipole, Da:	2.6
IP(EA), eV:	-10.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,4-trimethyl-3-prop-2-enoylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C3CC4C(CC3C2=O)C(=O)N(C4=O)O

DOS

IR

Vibrations