Geometry & MOs

Info

ID:	249626
PubChem CID:	103090960
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	3.91
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-(3-methylcyclohexyl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(O1)C2=CN=CC=C2)/C(=O)C

DOS

IR

Vibrations