Geometry & MOs

Info

ID:	315185
PubChem CID:	126624820
Reduced:	PO3N7C23H26 (1)
Stoich.:	AB3C7D23E26 (1)
Weight, g/mol:	251.2613
ΔH_f, kcal/mol:	13.35
Dipole, Da:	6.03
IP(EA), eV:	-8.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-cyclononylpyrrolidine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=CC=C(C=C2)OC3=C4C(=NN(C4=NC=C3)PC)N[C@@H]5CCCNC5

DOS

IR

Vibrations