Geometry & MOs

Info

ID:	80551
PubChem CID:	49835096
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-45.49
Dipole, Da:	5.56
IP(EA), eV:	-8.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[5-(3,6-dihydro-2H-pyran-4-yl)-1-(2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC(=O)NCCC2=CC=CC=C2)OC

DOS

IR

Vibrations