Geometry & MOs

Info

ID:	431031
PubChem CID:	135171101
Reduced:	ClSN4O5C17H19 (1)
Stoich.:	ABC4D5E17F19 (1)
Weight, g/mol:	142.146999
ΔH_f, kcal/mol:	-141.15
Dipole, Da:	2.38
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-N-ethylcyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)OCCO

DOS

IR

Vibrations