Geometry & MOs

Info

ID:	396409
PubChem CID:	135028311
Reduced:	BrN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	4.95
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,5Z)-1-ethoxy-3,3-dimethylcycloocta-1,5-diene

Drug info:

PubChemData

Smile

CCOC(=O)N(C)CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C=C2)OC)Br

DOS

IR

Vibrations