Geometry & MOs

Info

ID:	330368
PubChem CID:	127247355
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	37.37
Dipole, Da:	4.54
IP(EA), eV:	-8.68(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CCN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations