Geometry & MOs

Info

ID:	355890
PubChem CID:	127290742
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	369.227709
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	2.09
IP(EA), eV:	-8.98(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCN3C(=O)C4=CC=CC=C4O

DOS

IR

Vibrations