Geometry & MOs

Info

ID:	355904
PubChem CID:	127290756
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-61.6
Dipole, Da:	5.71
IP(EA), eV:	-8.97(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations