Geometry & MOs

Info

ID:	335425
PubChem CID:	127254287
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	327.01757
ΔH_f, kcal/mol:	-29.12
Dipole, Da:	7.8
IP(EA), eV:	-8.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloropyridin-3-yl)-1H-benzimidazole;phosphoric acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]2C3CC(CN2C4=C1C=C(C=C4)N)C5=CC=CC(=O)N5C3)C(=O)O

DOS

IR

Vibrations