Geometry & MOs

Info

ID:	333803
PubChem CID:	127252355
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	417.191323
ΔH_f, kcal/mol:	2.74
Dipole, Da:	4.02
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[2-[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations