Geometry & MOs

Info

ID:	214023
PubChem CID:	81065827
Reduced:	N3O4C14H27 (1)
Stoich.:	A3B4C14D27 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-201.75
Dipole, Da:	4.17
IP(EA), eV:	-8.96(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-5-nitroanilino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC(C)CN1CCOCC1

DOS

IR

Vibrations