Geometry & MOs

Info

ID:	418331
PubChem CID:	135104199
Reduced:	N6O6C31H48 (1)
Stoich.:	A6B6C31D48 (1)
Weight, g/mol:	298.129298
ΔH_f, kcal/mol:	-293.25
Dipole, Da:	5.6
IP(EA), eV:	-9.43(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)CCC(C)C)C)CC2=CC=CC=C2

DOS

IR

Vibrations