Geometry & MOs

Info

ID:	124183
PubChem CID:	50873982
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	299.011599
ΔH_f, kcal/mol:	-113.08
Dipole, Da:	4.63
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-carbonochloridoyl-2-methylphenyl)-5-oxopyrrolidine-3-carbonyl chloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CC(CC2=O)C(=O)N)C(=O)N

DOS

IR

Vibrations