Geometry & MOs

Info

ID:	309002
PubChem CID:	126534036
Reduced:	SN6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	380.207548
ΔH_f, kcal/mol:	218.89
Dipole, Da:	4.19
IP(EA), eV:	-8.78(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC\3=C(NN/C3=C/4\C=C5C(=CN=CC5=N4)C6=CC=CS6)N=C2

DOS

IR

Vibrations