Geometry & MOs

Info

ID:	255190
PubChem CID:	103130596
Reduced:	BrOSN2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	237.06689
ΔH_f, kcal/mol:	27.37
Dipole, Da:	4.41
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=CC(=CS2)Br)O

DOS

IR

Vibrations