Geometry & MOs

Info

ID:	393443
PubChem CID:	135020611
Reduced:	NO5H13C23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	318.02554
ΔH_f, kcal/mol:	-30.89
Dipole, Da:	7.08
IP(EA), eV:	-9.07(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-bromophenyl)-3-(3-methoxyphenyl)prop-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=C(C4=C2C=C(C=C4)[N+](=O)[O-])OC5=CC=CC=C5C3=O)O

DOS

IR

Vibrations