Geometry & MOs

Info

ID:	344193
PubChem CID:	127267369
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	338.087827
ΔH_f, kcal/mol:	22.85
Dipole, Da:	4.78
IP(EA), eV:	-8.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCC1=CC=C(C=C1)NC(=O)C2(CC2)C3=CC=CC=N3

DOS

IR

Vibrations