Geometry & MOs

Info

ID:	404494
PubChem CID:	135066553
Reduced:	NO4C19H27 (1)
Stoich.:	AB4C19D27 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-194.85
Dipole, Da:	2.54
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(3-nitrophenyl)methyl]-5-phenylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(C1CC2=CC=CC=C2C(=O)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations