Geometry & MOs

Info

ID:	151711
PubChem CID:	56269892
Reduced:	FN3O6C22H26 (1)
Stoich.:	AB3C6D22E26 (1)
Weight, g/mol:	433.217698
ΔH_f, kcal/mol:	-254.62
Dipole, Da:	4.62
IP(EA), eV:	-9.11(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN(CC(=O)OC)C(=O)CNC(=O)NCC2=CC=C(C=C2)F)OC

DOS

IR

Vibrations