Geometry & MOs

Info

ID:	125437
PubChem CID:	50924159
Reduced:	N7C18H19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	419.206973
ΔH_f, kcal/mol:	114.52
Dipole, Da:	3.29
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)CCN

DOS

IR

Vibrations