Geometry & MOs

Info

ID:	243686
PubChem CID:	99233987
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-218.63
Dipole, Da:	6.75
IP(EA), eV:	-9.06(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations