Geometry & MOs

Info

ID:	355591
PubChem CID:	127289349
Reduced:	ON6C15H22 (1)
Stoich.:	AB6C15D22 (1)
Weight, g/mol:	358.132428
ΔH_f, kcal/mol:	19.44
Dipole, Da:	6.48
IP(EA), eV:	-9.15(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CCN3C=CN=C3

DOS

IR

Vibrations