Geometry & MOs

Info

ID:	180572
PubChem CID:	76654310
Reduced:	F2O2N6C25H32 (1)
Stoich.:	A2B2C6D25E32 (1)
Weight, g/mol:	460.239831
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	4.36
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyanomethylamino)-4,4-difluoro-1-oxo-5-pyridin-3-ylpentan-2-yl]-7-cyclopropyl-2,7-diazaspiro[3.5]nonane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC3(CC2)CN(C3)C(=O)NC(CC(CC4=CC=NC=C4)(F)F)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations