Geometry & MOs

Info

ID:	395362
PubChem CID:	135025270
Reduced:	BrNOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	460.98129
ΔH_f, kcal/mol:	10.87
Dipole, Da:	1.95
IP(EA), eV:	-8.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C2=CC=CC=C2Br)C3=C(C=CC4=CC=CC=C43)O

DOS

IR

Vibrations