Geometry & MOs

Info

ID:	141151
PubChem CID:	52827494
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	456.190989
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	3.75
IP(EA), eV:	-8.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(N3)C4CCC4

DOS

IR

Vibrations