Geometry & MOs

Info

ID:	312704
PubChem CID:	126607479
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	4.72
IP(EA), eV:	-8.92(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-ethoxyethenyl]cyclohepta-1,3,5-triene

Drug info:

PubChemData

Smile

CCCCCNC(=O)N1CCC2=NC(=NC=C2C1)NC3CC4=CC=CC=C4C3

DOS

IR

Vibrations