Geometry & MOs

Info

ID:	164093
PubChem CID:	74381918
Reduced:	F2O2N4C19H28 (1)
Stoich.:	A2B2C4D19E28 (1)
Weight, g/mol:	455.270796
ΔH_f, kcal/mol:	-163.62
Dipole, Da:	5.02
IP(EA), eV:	-9.83(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azaspiro[2.5]octan-6-yl N-[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4,4-difluoro-1-oxoheptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(CC(C(=O)NC1(CC1)C#N)NC(=O)N2CCC3(CC3)CC2)(F)F

DOS

IR

Vibrations