Geometry & MOs

Info

ID:	140916
PubChem CID:	52783616
Reduced:	BrSN2O5C18H19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	3.9
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylguanidine

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C=C(C=C3)Br)O

DOS

IR

Vibrations