Geometry & MOs

Info

ID:	400125
PubChem CID:	135045753
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	282.02554
ΔH_f, kcal/mol:	-87.18
Dipole, Da:	2.95
IP(EA), eV:	-9.48(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-1-methylcyclopent-2-en-1-yl)-4-methoxyphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCC#C[C@@H](CCCO)O

DOS

IR

Vibrations