Geometry & MOs

Info

ID:	277129
PubChem CID:	103826884
Reduced:	BrClNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	5.23
IP(EA), eV:	-9.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)Br)Cl

DOS

IR

Vibrations