Geometry & MOs

Info

ID:	224007
PubChem CID:	85336920
Reduced:	O2N6C25H38 (1)
Stoich.:	A2B6C25D38 (1)
Weight, g/mol:	455.156909
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	6.7
IP(EA), eV:	-8.51(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NC(=C2N1NC(NC2=O)C3=C(C=CC(=C3)CN4CCN(CC4)C)OCC)C

DOS

IR

Vibrations