Geometry & MOs

Info

ID:	142117
PubChem CID:	52984928
Reduced:	Cl2N2O3C23H30 (1)
Stoich.:	A2B2C3D23E30 (1)
Weight, g/mol:	438.07097
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	3.4
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CC=C2Cl)N3CCCCCC3.Cl

DOS

IR

Vibrations