Geometry & MOs

Info

ID:	309308
PubChem CID:	126544279
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	423.119461
ΔH_f, kcal/mol:	-158.95
Dipole, Da:	3.0
IP(EA), eV:	-9.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C(=O)O)C(=O)NC

DOS

IR

Vibrations