Geometry & MOs

Info

ID:	207655
PubChem CID:	80433627
Reduced:	BrN3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	342.01345
ΔH_f, kcal/mol:	21.82
Dipole, Da:	3.46
IP(EA), eV:	-8.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)CC(C)C)C2=CC=CC=C2Br

DOS

IR

Vibrations