Geometry & MOs

Info

ID:	293566
PubChem CID:	117393254
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	3.39
IP(EA), eV:	-8.83(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-aminoprop-1-enyl]-4-bromo-6-ethylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C)/C=C/CN)Br

DOS

IR

Vibrations