Geometry & MOs

Info

ID:	434624
PubChem CID:	135175365
Reduced:	O4C19H22 (1)
Stoich.:	A4B19C22 (1)
Weight, g/mol:	481.275213
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	4.72
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-amino-3-(4-cyclohexyloxyphenyl)-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC2=C(C=C1)C=C(C=C2)OC3CCCC3)O

DOS

IR

Vibrations