Geometry & MOs

Info

ID:	61988
PubChem CID:	26716605
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	423.08735
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	8.92
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OC(C)C

DOS

IR

Vibrations