Geometry & MOs

Info

ID:	292674
PubChem CID:	117356842
Reduced:	BrNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	241.01023
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	4.99
IP(EA), eV:	-9.01(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations