Geometry & MOs

Info

ID:	230562
PubChem CID:	87571366
Reduced:	N2O4C53H102 (1)
Stoich.:	A2B4C53D102 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-329.11
Dipole, Da:	4.98
IP(EA), eV:	-9.36(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-5-[methyl-[[1-(methylamino)cyclopropyl]methyl]amino]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCC(CCCCCC(CCCCCCCC[C@H]2[C@H](O2)CCCCCCCC)C(=O)N(CC)CC)C(=O)N(CC)CC

DOS

IR

Vibrations