Geometry & MOs

Info

ID:	440816
PubChem CID:	135231649
Reduced:	NOPC10H20 (1)
Stoich.:	ABCD10E20 (1)
Weight, g/mol:	482.207782
ΔH_f, kcal/mol:	-28.19
Dipole, Da:	3.65
IP(EA), eV:	-8.88(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[3-[4-(2-fluoropropan-2-yloxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-1-(3-methoxypropyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=C)C1(CO1)C)NP

DOS

IR

Vibrations