Geometry & MOs

Info

ID:	184811
PubChem CID:	77211710
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	2.46
IP(EA), eV:	-8.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-hydroxyphenyl)ethenyl]-3,5,5-trimethyl-2-oxocyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=NC(=C2C1=O)NC3CCOC3)C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations