Geometry & MOs

Info

ID:	312314
PubChem CID:	126604252
Reduced:	NSF3O5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	213.220498
ΔH_f, kcal/mol:	-368.32
Dipole, Da:	6.87
IP(EA), eV:	-9.62(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-N'-(4-piperidin-1-ylbutyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)OC2=C(C3=C(C=C2)C=C(C=C3)C(=O)NCCS(=O)(=O)O)C(F)(F)F

DOS

IR

Vibrations