Geometry & MOs

Info

ID:	373421
PubChem CID:	131315016
Reduced:	FO2S2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	242.01671
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	5.16
IP(EA), eV:	-9.18(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-4-bromo-2-propan-2-ylpyrazol-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CSC1=C2C(=C(C=C1)F)C(=CS2)C(=O)O

DOS

IR

Vibrations