Geometry & MOs

Info

ID:	163890
PubChem CID:	74380631
Reduced:	N4O7H30C31 (1)
Stoich.:	A4B7C30D31 (1)
Weight, g/mol:	495.164165
ΔH_f, kcal/mol:	-162.2
Dipole, Da:	2.36
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-benzodioxin-3-ylmethyl 4-[2-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenoxy]acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)COC2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3N)C(=O)OCC4=COC5=CC=CC=C5O4

DOS

IR

Vibrations