Geometry & MOs

Info

ID:	272912
PubChem CID:	103765609
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	358.99238
ΔH_f, kcal/mol:	-138.96
Dipole, Da:	6.28
IP(EA), eV:	-9.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-bromo-4-chlorobenzoyl)-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(CC2)C(C)O)F

DOS

IR

Vibrations