Geometry & MOs

Info

ID:	330349
PubChem CID:	127247336
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	4.56
IP(EA), eV:	-8.64(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations