Geometry & MOs

Info

ID:	312642
PubChem CID:	126607120
Reduced:	ClO6H31C32 (1)
Stoich.:	AB6C31D32 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-194.8
Dipole, Da:	4.63
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-(2-ethylphenyl)hept-5-en-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1C[C@@H](CC(O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OCC4=CC5=CC=CC=C5O4)OC(=O)C

DOS

IR

Vibrations