Geometry & MOs

Info

ID:	252627
PubChem CID:	103112789
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-107.13
Dipole, Da:	3.05
IP(EA), eV:	-9.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(2-methyl-3-nitrophenyl)methylcarbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(=O)N(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations