Geometry & MOs

Info

ID:	297501
PubChem CID:	117619108
Reduced:	O2N3C13H27 (1)
Stoich.:	A2B3C13D27 (1)
Weight, g/mol:	354.093975
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	3.21
IP(EA), eV:	-8.64(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-(trifluoromethyl)phenyl]-4-hydroxy-6-methyl-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C(=O)[C@H](CCOC)N

DOS

IR

Vibrations