Geometry & MOs

Info

ID:	233507
PubChem CID:	90944943
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	164.056133
ΔH_f, kcal/mol:	-164.9
Dipole, Da:	6.15
IP(EA), eV:	-8.84(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

CCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations