Geometry & MOs

Info

ID:	213251
PubChem CID:	81063267
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	172.157563
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.15
IP(EA), eV:	-9.53(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-ethoxyethyl)-1-N-methylcyclobutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)C1=CC=CC=C1CCl

DOS

IR

Vibrations