Geometry & MOs

Info

ID:	85057
PubChem CID:	49871534
Reduced:	BrH17C20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	348.172545
ΔH_f, kcal/mol:	90.01
Dipole, Da:	2.14
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trimethoxy-5-[(1S,5S)-2-methylidene-5-[(E)-2-phenylethenyl]cyclopent-3-en-1-yl]benzene

Drug info:

PubChemData

Smile

C=C1C=C[C@H]([C@@H]1C2=CC=C(C=C2)Br)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations