Geometry & MOs

Info

ID:	448330
PubChem CID:	135290173
Reduced:	BrClNO2C17H25 (1)
Stoich.:	ABCD2E17F25 (1)
Weight, g/mol:	347.02877
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	6.11
IP(EA), eV:	-7.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-chloro-5-(3-methoxypropoxy)phenyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1(CCC(C1N)C2=CC(=C(C=C2Br)Cl)OCCCOC)C

DOS

IR

Vibrations