Geometry & MOs

Info

ID:	178121
PubChem CID:	76281009
Reduced:	O2N9C20H27 (1)
Stoich.:	A2B9C20D27 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	9.66
Dipole, Da:	2.28
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(3-methylpyridin-2-yl)oxymethyl]phenyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CN(CCN1C2=NC(=NC3=C2C=NN3C)N)C(=O)NC4=C(N=C(C=C4)OC)C

DOS

IR

Vibrations