Geometry & MOs

Info

ID:	297733
PubChem CID:	117627560
Reduced:	O3C26H40 (1)
Stoich.:	A3B26C40 (1)
Weight, g/mol:	252.09102
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	6.48
IP(EA), eV:	-9.68(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-3-nitrophenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C

DOS

IR

Vibrations