Geometry & MOs

Info

ID:	294321
PubChem CID:	117453006
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	281.00514
ΔH_f, kcal/mol:	-17.87
Dipole, Da:	4.47
IP(EA), eV:	-9.52(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(1-isocyanatocyclobutyl)-6-methylphenol

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC=C2Br)CN=C=O

DOS

IR

Vibrations