Geometry & MOs

Info

ID:	144032
PubChem CID:	53303073
Reduced:	NO3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	4.27
IP(EA), eV:	-8.73(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-1-(azepan-1-yl)-5-(1,3-benzodioxol-5-yl)penta-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)/C=C/C=C/C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations