Geometry & MOs

Info

ID:	200191
PubChem CID:	79360814
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	6.89
IP(EA), eV:	-8.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)NC2C(C2(C)C)(C)C

DOS

IR

Vibrations