Geometry & MOs

Info

ID:	80952
PubChem CID:	49854073
Reduced:	S2O4N5H23C25 (1)
Stoich.:	A2B4C5D23E25 (1)
Weight, g/mol:	429.141259
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	11.9
IP(EA), eV:	-8.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations