Geometry & MOs

Info

ID:	265921
PubChem CID:	103556527
Reduced:	ClNOSC12H18 (1)
Stoich.:	ABCDE12F18 (1)
Weight, g/mol:	200.188863
ΔH_f, kcal/mol:	-31.78
Dipole, Da:	3.83
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N'-[2-(1-methoxycyclobutyl)ethyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(CC2(CCC2)OC)N)Cl

DOS

IR

Vibrations