Geometry & MOs

Info

ID:	163889
PubChem CID:	74380630
Reduced:	N3O8C25H29 (1)
Stoich.:	A3B8C25D29 (1)
Weight, g/mol:	570.211449
ΔH_f, kcal/mol:	-231.42
Dipole, Da:	3.02
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)COC(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C=CC(=O)NO)OC

DOS

IR

Vibrations