Geometry & MOs

Info

ID:	168166
PubChem CID:	74932193
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	3.94
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,6-dimethoxyphenyl)prop-1-en-2-yl]-2-methylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN1CCC2C1C3=C(N=C4C=CC(=CC4=C3)OC)N(C2=O)CC5=CC=CC=C5

DOS

IR

Vibrations