Geometry & MOs

Info

ID:	396516
PubChem CID:	135028611
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	4.8
IP(EA), eV:	-9.18(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-1-phenylbut-3-yne-1,2-dione

Drug info:

PubChemData

Smile

CC1CC2[C@@H]3CC(=O)CCC2C(C1)N3

DOS

IR

Vibrations