Geometry & MOs

Info

ID:	208645
PubChem CID:	80559115
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	211.204848
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	6.27
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(1-propylpiperidin-4-yl)cyclobutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(C1)NC2=CC=CC=C2C#N

DOS

IR

Vibrations