Geometry & MOs

Info

ID:	325615
PubChem CID:	126684183
Reduced:	N3O5C20H33 (1)
Stoich.:	A3B5C20D33 (1)
Weight, g/mol:	270.198365
ΔH_f, kcal/mol:	-196.4
Dipole, Da:	3.4
IP(EA), eV:	-10.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-tert-butyl-2-methylcyclohexylidene)-1-phenylethanone

Drug info:

PubChemData

Smile

CCCC(C)(CCC)CCCN1C(=O)N(C(=O)N(C1=O)CC2CO2)CC3CO3

DOS

IR

Vibrations