Geometry & MOs

Info

ID:	271996
PubChem CID:	103709388
Reduced:	BrClNOSH13C14 (1)
Stoich.:	ABCDEF13G14 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	3.53
Dipole, Da:	3.99
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-chlorophenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations