Geometry & MOs

Info

ID:	198705
PubChem CID:	79139498
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	194.066697
ΔH_f, kcal/mol:	-114.48
Dipole, Da:	4.29
IP(EA), eV:	-9.87(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-4-yl]methanamine

Drug info:

PubChemData

Smile

CCCC1(CCCN(C1)C(=O)CC2=CC=NN2)C(=O)O

DOS

IR

Vibrations