Geometry & MOs

Info

ID:	226238
PubChem CID:	87350205
Reduced:	NPC5O5H11 (1)
Stoich.:	ABC5D5E11 (1)
Weight, g/mol:	387.080631
ΔH_f, kcal/mol:	-240.93
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758786
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[3,5-bis(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-methylaniline

Drug info:

PubChemData

Smile

CCO[P+](=O)OC(=O)[C@H](CO)N

DOS

IR

Vibrations