Geometry & MOs

Info

ID:	363476
PubChem CID:	127311279
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	4.27
IP(EA), eV:	-8.94(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCCC3C(=O)N4CCCC4

DOS

IR

Vibrations