Geometry & MOs

Info

ID:	347226
PubChem CID:	127271767
Reduced:	FON4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-59.06
Dipole, Da:	2.94
IP(EA), eV:	-9.03(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2-ethyl-1,3-benzoxazol-5-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations