Geometry & MOs

Info

ID:	164507
PubChem CID:	74408704
Reduced:	O3H20C21 (1)
Stoich.:	A3B20C21 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-46.33
Dipole, Da:	2.4
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethyl-4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC12C3CC(C1C4=C(C5=CC=CC=C5C(=C4C2=O)OC)OC)C=C3

DOS

IR

Vibrations