Geometry & MOs

Info

ID:	279182
PubChem CID:	103841890
Reduced:	BrClNO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	356.0291
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	3.66
IP(EA), eV:	-9.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations