Geometry & MOs

Info

ID:	171718
PubChem CID:	75416482
Reduced:	BrFSO2N4H10C12 (1)
Stoich.:	ABCD2E4F10G12 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	3.42
IP(EA), eV:	-9.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NNC(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations