Geometry & MOs

Info

ID:	343000
PubChem CID:	127266163
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	344.231122
ΔH_f, kcal/mol:	-44.05
Dipole, Da:	3.51
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-(4-ethoxybutanoyl)-4-hydroxypiperidin-4-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)NC[C@@H](CN3CCCCC3)O)C

DOS

IR

Vibrations