Geometry & MOs

Info

ID:	206052
PubChem CID:	80194325
Reduced:	BrClNSO5C11H13 (1)
Stoich.:	ABCDE5F11G13 (1)
Weight, g/mol:	173.152812
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	9.21
IP(EA), eV:	-9.96(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-4-hydroxybutyl)-2-methylguanidine

Drug info:

PubChemData

Smile

CC1(CCCO1)CNC(=O)C2=CC(=C(O2)Br)S(=O)(=O)Cl

DOS

IR

Vibrations