Geometry & MOs

Info

ID:	194417
PubChem CID:	78532692
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	409.188923
ΔH_f, kcal/mol:	-161.04
Dipole, Da:	8.43
IP(EA), eV:	-8.75(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-diethylanilino)-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3)C

DOS

IR

Vibrations