Geometry & MOs

Info

ID:	68807
PubChem CID:	46509130
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	425.198238
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	5.01
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations