Geometry & MOs

Info

ID:	217584
PubChem CID:	85088056
Reduced:	BrOH19C22 (1)
Stoich.:	ABC19D22 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	28.7
Dipole, Da:	2.0
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-phenylmethoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9-trien-15-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Br)C3=CC=C(C=C3)O

DOS

IR

Vibrations