Geometry & MOs

Info

ID:	297971
PubChem CID:	117644141
Reduced:	NO3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	365.171262
ΔH_f, kcal/mol:	-207.13
Dipole, Da:	6.61
IP(EA), eV:	-10.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCC(CCNC(=O)OC(C)(C)C)C1(C=CC(C=C1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations