Geometry & MOs

Info

ID:	337886
PubChem CID:	127258509
Reduced:	O4C11H20 (1)
Stoich.:	A4B11C20 (1)
Weight, g/mol:	358.116486
ΔH_f, kcal/mol:	-207.28
Dipole, Da:	1.08
IP(EA), eV:	-10.18(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-nitro-2-(phenylmethoxycarbonylamino)phenyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCOC1CCCCO1

DOS

IR

Vibrations