Geometry & MOs

Info

ID:	333037
PubChem CID:	127251461
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	446.156575
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	4.21
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,2,5-oxadiazol-3-yl)-[2-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations