Geometry & MOs

Info

ID:	370623
PubChem CID:	127339773
Reduced:	ON5C21H33 (1)
Stoich.:	AB5C21D33 (1)
Weight, g/mol:	384.26376
ΔH_f, kcal/mol:	-11.66
Dipole, Da:	4.53
IP(EA), eV:	-8.93(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=NN(C(=C3)C(C)C)C(C)(C)C

DOS

IR

Vibrations