Geometry & MOs

Info

ID:	207646
PubChem CID:	80433385
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	309.088019
ΔH_f, kcal/mol:	20.85
Dipole, Da:	6.79
IP(EA), eV:	-9.06(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-(2-methylpropyl)-1-(3-nitrophenyl)pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=O)N(N1)C2=CC=CC=N2)Br

DOS

IR

Vibrations