Geometry & MOs

Info

ID:	339273
PubChem CID:	127260652
Reduced:	O2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	204.151415
ΔH_f, kcal/mol:	-11.98
Dipole, Da:	4.26
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(6-methylcyclohex-3-en-1-yl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/2\CCC/C(=C\C3=CC=CC=C3)/C2=O

DOS

IR

Vibrations