Geometry & MOs

Info

ID:	222321
PubChem CID:	85296684
Reduced:	NOH23C25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	350.11066
ΔH_f, kcal/mol:	53.47
Dipole, Da:	2.56
IP(EA), eV:	-8.75(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-iodotridec-3-en-7-one

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C=CC3=CC=CC=C3

DOS

IR

Vibrations