Geometry & MOs

Info

ID:	258950
PubChem CID:	103157521
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	234.111676
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	5.76
IP(EA), eV:	-8.39(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\NOC(=N2)CC(CN)OC)/C=CC1=O

DOS

IR

Vibrations