Geometry & MOs

Info

ID:	167854
PubChem CID:	74886445
Reduced:	O4N5C10H17 (1)
Stoich.:	A4B5C10D17 (1)
Weight, g/mol:	314.041797
ΔH_f, kcal/mol:	-138.4
Dipole, Da:	3.61
IP(EA), eV:	-9.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-[(3,5-dioxo-1,2,4-triazinan-6-yl)amino]-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)O)C2C(=O)NC(=O)NN2

DOS

IR

Vibrations