Geometry & MOs

Info

ID:	151623
PubChem CID:	55161724
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	3.43
IP(EA), eV:	-9.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-chlorophenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2=C(C=CC(=C2)Cl)C(=O)N

DOS

IR

Vibrations