Geometry & MOs

Info

ID:	213990
PubChem CID:	81065627
Reduced:	ClO3N4C10H15 (1)
Stoich.:	AB3C4D10E15 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-102.94
Dipole, Da:	5.31
IP(EA), eV:	-10.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyano-5-methylanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC(=NC(=N1)Cl)OC

DOS

IR

Vibrations