Geometry & MOs

Info

ID:	435848
PubChem CID:	135192567
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	332.235145
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	3.66
IP(EA), eV:	-9.22(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(2-ethyl-2-methylbutanoyl)cyclohexyl]propyl]cyclopent-4-ene-1,3-dione

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC

DOS

IR

Vibrations