Geometry & MOs

Info

ID:	156674
PubChem CID:	56371641
Reduced:	ClN4O4H17C22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	403.283492
ΔH_f, kcal/mol:	-34.07
Dipole, Da:	9.35
IP(EA), eV:	-8.69(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN4C=NN=C4C=C3)Cl

DOS

IR

Vibrations