Geometry & MOs

Info

ID:	377130
PubChem CID:	134223168
Reduced:	NO2H27C42 (1)
Stoich.:	AB2C27D42 (1)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	119.09
Dipole, Da:	2.09
IP(EA), eV:	-8.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine

Drug info:

PubChemData

Smile

C1CC(=CC=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)OC6=CC=CC=C65)C7=C2C=CC(=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19

DOS

IR

Vibrations