Geometry & MOs

Info

ID:	55982
PubChem CID:	17398141
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-96.01
Dipole, Da:	4.78
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCCCC2

DOS

IR

Vibrations