Geometry & MOs

Info

ID:	58581
PubChem CID:	24702369
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	211.204848
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	4.35
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-4-pyrrolidin-1-ylpiperidin-4-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)S(=O)(=O)NC2=CC=C(C=C2)CN

DOS

IR

Vibrations