Geometry & MOs

Info

ID:	254995
PubChem CID:	103129212
Reduced:	BrON5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	334.04292
ΔH_f, kcal/mol:	68.06
Dipole, Da:	1.61
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-ethylpyrazol-3-yl)-(1-methylindazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(C2=C3C=NC=CN3N=C2)O

DOS

IR

Vibrations