Geometry & MOs

Info

ID:	294882
PubChem CID:	117502285
Reduced:	BrClNO3H7C11 (1)
Stoich.:	ABCD3E7F11 (1)
Weight, g/mol:	314.9774
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	2.54
IP(EA), eV:	-9.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-bromo-3-chloro-2-methoxyphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)Br)C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations