Geometry & MOs

Info

ID:	80540
PubChem CID:	49835043
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	4.34
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[5-(1-cyclohexyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]ethanol

Drug info:

PubChemData

Smile

CC1=C2C=CN(C2=CC=C1)CCC(=O)N/N=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations