Geometry & MOs

Info

ID:	293414
PubChem CID:	117388042
Reduced:	ClNSC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	252.98507
ΔH_f, kcal/mol:	17.36
Dipole, Da:	4.47
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1H-pyrazol-4-yl)-5-bromophenol

Drug info:

PubChemData

Smile

C1CSCC1C2=C(C=C(C=C2)/C=C/CN)Cl

DOS

IR

Vibrations