Geometry & MOs

Info

ID:	394692
PubChem CID:	135023547
Reduced:	ClO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	378.04806
ΔH_f, kcal/mol:	14.18
Dipole, Da:	4.32
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-iodophenyl)-4-(3-methylpent-4-ynyl)cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1([C@@H](N(C2=C(N1)C=CC(=C2)Cl)C3=CC=C(C=C3)C)C4=CC=CC=C4)C#N

DOS

IR

Vibrations