Geometry & MOs

Info

ID:	364722
PubChem CID:	127316028
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	3.9
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations