Geometry & MOs

Info

ID:	295180
PubChem CID:	117520611
Reduced:	BrO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	373.204179
ΔH_f, kcal/mol:	-201.44
Dipole, Da:	1.86
IP(EA), eV:	-9.17(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-bis(phenylmethoxy)phenyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=CC(=C1OC2CCCC2)OC)Br)O

DOS

IR

Vibrations