Geometry & MOs

Info

ID:	207684
PubChem CID:	80437721
Reduced:	ClNOF3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	296.221226
ΔH_f, kcal/mol:	-180.87
Dipole, Da:	3.29
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5-methyl-4-nitropyrazol-3-yl)-4-methyl-N-propylpentan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=C2C=C(C=CC2=N1)OCC(F)(F)F)Cl

DOS

IR

Vibrations