Geometry & MOs

Info

ID:	321462
PubChem CID:	126666086
Reduced:	BrN3O3H6C7 (1)
Stoich.:	AB3C3D6E7 (1)
Weight, g/mol:	383.05209
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	2.44
IP(EA), eV:	-10.1(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-aminophenyl)-3-bromo-4-phenylmethoxyphenyl]methanol

Drug info:

PubChemData

Smile

COCC1=NOC2=C1C(=O)NN=C2Br

DOS

IR

Vibrations