Geometry & MOs

Info

ID:	369229
PubChem CID:	127331546
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-80.68
Dipole, Da:	4.43
IP(EA), eV:	-9.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(1,3-thiazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3CCCOC3C(C)(C)C

DOS

IR

Vibrations