Geometry & MOs

Info

ID:	369194
PubChem CID:	127331501
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	6.32
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(CC1)C2=CC=C(C=C2)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations