Geometry & MOs

Info

ID:	181439
PubChem CID:	76747712
Reduced:	WN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	384.17731
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	4.48
IP(EA), eV:	-7.03(-0.07)
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]-4-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations