Geometry & MOs

Info

ID:	361682
PubChem CID:	127304397
Reduced:	SO2N7C16H25 (1)
Stoich.:	AB2C7D16E25 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	12.38
Dipole, Da:	2.24
IP(EA), eV:	-8.79(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CSC3=NN=CN3C(C)C

DOS

IR

Vibrations