Geometry & MOs

Info

ID:	446354
PubChem CID:	135274307
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	230.04186
ΔH_f, kcal/mol:	-28.63
Dipole, Da:	2.86
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2,2-dimethylpropyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3C4C3CN(C4)[C@H]5CCOC5)N(N=C2)C6CCCCO6

DOS

IR

Vibrations