Geometry & MOs

Info

ID:	207240
PubChem CID:	80364267
Reduced:	SN2Cl3H9C13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	275.06332
ΔH_f, kcal/mol:	52.85
Dipole, Da:	4.03
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-bromo-3-(2,2-dimethylpropyl)pyrazol-1-yl]ethanol

Drug info:

PubChemData

Smile

C1=CSC=C1N2C3=CC(=C(C=C3N=C2CCCl)Cl)Cl

DOS

IR

Vibrations