Geometry & MOs

Info

ID:	76406
PubChem CID:	48424884
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	2.87
IP(EA), eV:	-8.83(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-(methoxycarbonylamino)-3-phenylpropanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CCCN2C(=O)C(C)OCC3CC3)C

DOS

IR

Vibrations