Geometry & MOs

Info

ID:	376119
PubChem CID:	134222122
Reduced:	NO3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	1.85
IP(EA), eV:	-8.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-3-ethyl-1-(5-methylcyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-one

Drug info:

PubChemData

Smile

CCCCC(=O)OC(C)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC

DOS

IR

Vibrations