Geometry & MOs

Info

ID:	230617
PubChem CID:	87571491
Reduced:	N2O3F6C23H24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	440.336256
ΔH_f, kcal/mol:	-396.76
Dipole, Da:	8.77
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-[cyclohexylmethyl(methoxycarbamoyl)amino]piperidin-1-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CN=CC(=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations