Geometry & MOs

Info

ID:	254999
PubChem CID:	103129220
Reduced:	BrON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	348.05857
ΔH_f, kcal/mol:	51.82
Dipole, Da:	3.26
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-propan-2-ylpyrazol-3-yl)-(1-methylindazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(C2=C3C=CC=CN3N=C2)O

DOS

IR

Vibrations