Geometry & MOs

Info

ID:	26473
PubChem CID:	649551
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	386.125802
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	2.53
IP(EA), eV:	-9.11(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methyl]-N-cyclohexyl-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CCO)(C3=CC=C(C=C3)F)O

DOS

IR

Vibrations