Geometry & MOs

Info

ID:	347144
PubChem CID:	127271648
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	391.237211
ΔH_f, kcal/mol:	-73.78
Dipole, Da:	4.12
IP(EA), eV:	-9.37(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-cyclohexyl-1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC(=O)N3CCCC3

DOS

IR

Vibrations