Geometry & MOs

Info

ID:	252369
PubChem CID:	103110855
Reduced:	N4O5C12H16 (1)
Stoich.:	A4B5C12D16 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-111.89
Dipole, Da:	6.62
IP(EA), eV:	-9.75(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC(=N1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations