Geometry & MOs

Info

ID:	164509
PubChem CID:	74409317
Reduced:	N4O5C11H12 (1)
Stoich.:	A4B5C11D12 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-30.2
Dipole, Da:	9.46
IP(EA), eV:	-9.92(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(2,6-dimethyl-4-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations