Geometry & MOs

Info

ID:	170614
PubChem CID:	75258636
Reduced:	FOSN3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	348.160456
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	2.81
IP(EA), eV:	-8.98(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(2-chlorophenyl)ethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CSCC(=O)N1CCC2C(C1)C(NN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations