Geometry & MOs

Info

ID:	353731
PubChem CID:	127285308
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	-102.85
Dipole, Da:	5.58
IP(EA), eV:	-8.68(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-4-(4-methoxypyridin-2-yl)piperazine

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)N2CCN(CC2)CC(=O)NC3CCOCC3

DOS

IR

Vibrations