Geometry & MOs

Info

ID:	276269
PubChem CID:	103821855
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	314.231791
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	2.16
IP(EA), eV:	-8.33(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=CC(=CC=C1)NC(=O)N

DOS

IR

Vibrations