Geometry & MOs

Info

ID:	324286
PubChem CID:	126677320
Reduced:	FN6H11C18 (1)
Stoich.:	AB6C11D18 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	138.77
Dipole, Da:	3.97
IP(EA), eV:	-9.09(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(hydroxymethyl)-1,2-dihydrotriazol-3-yl]cyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CN2C(=C1)C(=NC(=N2)C3=NC=C(C=C3)F)N4C=CC5=C4C=CN=C5

DOS

IR

Vibrations