Geometry & MOs

Info

ID:	205321
PubChem CID:	80085693
Reduced:	FN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	3.94
IP(EA), eV:	-9.18(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-methyl-2-nitrophenyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(C(N1)C)NC(=O)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations