Geometry & MOs

Info

ID:	181445
PubChem CID:	76747718
Reduced:	WN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	378.13036
ΔH_f, kcal/mol:	41.01
Dipole, Da:	6.36
IP(EA), eV:	-6.28(-2.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(N([CH-]CO1)C(=O)OC(C)(C)C)C.CNC(=O)NC1=CC=C(C=C1)C[CH2-].[W+2]

DOS

IR

Vibrations