Geometry & MOs

Info

ID:	408455
PubChem CID:	135081221
Reduced:	BrNOH12C14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	192.11503
ΔH_f, kcal/mol:	33.28
Dipole, Da:	3.99
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-4-(4-methoxyphenyl)pent-3-en-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O/C(=C/C2=CN=CC=C2)/Br

DOS

IR

Vibrations