Geometry & MOs

Info

ID:	259019
PubChem CID:	103157988
Reduced:	BrO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	200.09094
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	2.6
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)C2=NOC(=N2)CC(CN)OC

DOS

IR

Vibrations