Geometry & MOs

Info

ID:	355657
PubChem CID:	127289415
Reduced:	O2N7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	18.75
Dipole, Da:	6.12
IP(EA), eV:	-8.93(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations