Geometry & MOs

Info

ID:	68834
PubChem CID:	46509188
Reduced:	FN2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	409.07897
ΔH_f, kcal/mol:	-129.22
Dipole, Da:	6.34
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(4-bromophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)F

DOS

IR

Vibrations