Geometry & MOs

Info

ID:	202818
PubChem CID:	79731173
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	238.111756
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(pyrrolidin-3-ylamino)benzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)Br)NC2CCNC2

DOS

IR

Vibrations