Geometry & MOs

Info

ID:	213861
PubChem CID:	81065492
Reduced:	N2O2C6H7 (2)
Stoich.:	A2B2C6D7 (2)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	8.38
IP(EA), eV:	-9.92(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=C(C=N1)[N+](=O)[O-])C#N

DOS

IR

Vibrations