Geometry & MOs

Info

ID:	291361
PubChem CID:	112005690
Reduced:	SN5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	412.214427
ΔH_f, kcal/mol:	68.01
Dipole, Da:	3.79
IP(EA), eV:	-8.65(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylsulfonylpiperidin-4-yl)-3-[2-(4-methoxyphenoxy)propyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1=C(N(N=C1C)C)C)N(C)CC2=CSC=C2

DOS

IR

Vibrations