Geometry & MOs

Info

ID:	370575
PubChem CID:	127339713
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-78.63
Dipole, Da:	0.43
IP(EA), eV:	-9.26(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopentyl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)CNC(=O)CC3CCCC3

DOS

IR

Vibrations