Geometry & MOs

Info

ID:	305678
PubChem CID:	124965302
Reduced:	ClO2N4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	1.71
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CCC[C@@H](C3)C4=NC=C(O4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations