Geometry & MOs

Info

ID:	426206
PubChem CID:	135142661
Reduced:	NF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	-270.12
Dipole, Da:	5.01
IP(EA), eV:	-10.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(3-hydroxy-3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

COCCC(C1=CC=C(C=C1)CNC(=O)C(F)(F)F)O

DOS

IR

Vibrations