Geometry & MOs

Info

ID:	279004
PubChem CID:	103840442
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	362.02914
ΔH_f, kcal/mol:	-13.07
Dipole, Da:	5.6
IP(EA), eV:	-9.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(4-fluoro-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C2=CSC(=C2)Br)CN

DOS

IR

Vibrations