Geometry & MOs

Info

ID:	276163
PubChem CID:	103821023
Reduced:	BrN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	4.8
IP(EA), eV:	-9.13(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[(1R)-1-cycloheptylethyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations