Geometry & MOs

Info

ID:	213932
PubChem CID:	81065563
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-23.95
Dipole, Da:	8.32
IP(EA), eV:	-9.34(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dinitroanilino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=NC2=CC=CC=C21)C#N

DOS

IR

Vibrations