Geometry & MOs

Info

ID:	180926
PubChem CID:	76706175
Reduced:	SN2O7C21H30 (1)
Stoich.:	AB2C7D21E30 (1)
Weight, g/mol:	242.131167
ΔH_f, kcal/mol:	-297.23
Dipole, Da:	7.02
IP(EA), eV:	-9.18(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(1-aminochloranuidylethyl)-3-(2-methylbutoxy)benzene

Drug info:

PubChemData

Smile

C1COCCC1OC2=CC=CC(=C2)CCS(=O)(=O)CCCOCN3CCC(=O)NC3=O

DOS

IR

Vibrations