Geometry & MOs

Info

ID:	202620
PubChem CID:	79700646
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	348.01612
ΔH_f, kcal/mol:	-17.68
Dipole, Da:	2.51
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-bromo-5-fluorophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

CN(CC1CCNCC1)C(=O)CC2=NOC3=CC=CC=C32

DOS

IR

Vibrations