Geometry & MOs

Info

ID:	440131
PubChem CID:	135230031
Reduced:	ClO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	240.171202
ΔH_f, kcal/mol:	-223.59
Dipole, Da:	2.15
IP(EA), eV:	-8.9(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(1-methoxycarbonylcyclopentyl)butylimino-methyliminoazanium

Drug info:

PubChemData

Smile

COC1(C[C@H](CC(O1)CO)O)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OCCOC4CC4

DOS

IR

Vibrations