Geometry & MOs

Info

ID:	232855
PubChem CID:	87577251
Reduced:	ClO3N4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	287.209658
ΔH_f, kcal/mol:	-47.57
Dipole, Da:	6.44
IP(EA), eV:	-8.8(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dipentylamino)pentanedioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=C(C3=C2N=C(N=C3Cl)N)C(=O)OC

DOS

IR

Vibrations