Geometry & MOs

Info

ID:	38520
PubChem CID:	8136974
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	405.097915
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	0.67
IP(EA), eV:	-9.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations