Geometry & MOs

Info

ID:	277150
PubChem CID:	103827049
Reduced:	BrClNO3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-119.79
Dipole, Da:	5.85
IP(EA), eV:	-9.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations