Geometry & MOs

Info

ID:	295146
PubChem CID:	117518609
Reduced:	BrNO2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	353.09904
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	2.95
IP(EA), eV:	-8.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2CCNCC2)Br)OC3CCCC3

DOS

IR

Vibrations