Geometry & MOs

Info

ID:	200517
PubChem CID:	79404270
Reduced:	BBr2O2F3H7C8 (1)
Stoich.:	AB2C2D3E7F8 (1)
Weight, g/mol:	231.194677
ΔH_f, kcal/mol:	-291.28
Dipole, Da:	1.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950369
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanehydrazide

Drug info:

PubChemData

Smile

[B-](COC1=C(C=C(C(=C1)Br)OC)Br)(F)(F)F

DOS

IR

Vibrations