Geometry & MOs

Info

ID:	184698
PubChem CID:	77194505
Reduced:	N2O3C14H15 (2)
Stoich.:	A2B3C14D15 (2)
Weight, g/mol:	391.091741
ΔH_f, kcal/mol:	-165.48
Dipole, Da:	9.77
IP(EA), eV:	-9.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3a-(3,4-dichlorophenyl)-5,5-difluoro-3,4,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OCCCC(=O)NN=CC(C)C)O

DOS

IR

Vibrations