Geometry & MOs

Info

ID:	218161
PubChem CID:	85088973
Reduced:	O2N5H21C26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	435.180758
ΔH_f, kcal/mol:	95.65
Dipole, Da:	2.34
IP(EA), eV:	-7.79(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[6-(1-phenylethylamino)pyrazin-2-yl]benzimidazol-5-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C=NC(=C2N=CC3=CC=CC=C3)C4=C(OC(=N4)C5=CC=CC=C5)N

DOS

IR

Vibrations