Geometry & MOs

Info

ID:	291610
PubChem CID:	113447828
Reduced:	SN3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	70.81
Dipole, Da:	2.71
IP(EA), eV:	-8.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclohexyl-1-cyclopentyl-N'-ethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=N2)C3=C(C=CC=N3)N

DOS

IR

Vibrations