Geometry & MOs

Info

ID:	392537
PubChem CID:	135017116
Reduced:	OSC14H22 (1)
Stoich.:	ABC14D22 (1)
Weight, g/mol:	285.098765
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	2.39
IP(EA), eV:	-8.86(0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2-hydroxy-2,3-dihydropyrido[3,2-d]pyrimidin-3-ium-4-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCC[C@@]1(C[C@](C2=C1C=CS2)(C)CC)O

DOS

IR

Vibrations