Geometry & MOs

Info

ID:	148564
PubChem CID:	53788231
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	138.115698
ΔH_f, kcal/mol:	8.51
Dipole, Da:	2.85
IP(EA), eV:	-8.82(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethylpropyl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCC3=NNN=N3

DOS

IR

Vibrations