Geometry & MOs

Info

ID:	80623
PubChem CID:	49835592
Reduced:	ClF2O3N4C23H25 (1)
Stoich.:	AB2C3D4E23F25 (1)
Weight, g/mol:	339.219829
ΔH_f, kcal/mol:	-185.14
Dipole, Da:	8.61
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 3-benzylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1(CNCC2CNC3=CC=CC(=C3O2)C(=O)N)F)C(=O)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations