Geometry & MOs

Info

ID:	375436
PubChem CID:	131529689
Reduced:	BrOF2N2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-90.87
Dipole, Da:	4.35
IP(EA), eV:	-9.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino(oxan-4-yl)methyl]-5-methylphenol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(C(F)F)N)O)Br)C#N

DOS

IR

Vibrations