Geometry & MOs

Info

ID:	36827
PubChem CID:	8013382
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	397.011993
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	2.52
IP(EA), eV:	-7.73(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2,6-dichlorophenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations