Geometry & MOs

Info

ID:	55860
PubChem CID:	17396709
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-84.3
Dipole, Da:	3.46
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

DOS

IR

Vibrations