Geometry & MOs

Info

ID:	290165
PubChem CID:	104416217
Reduced:	F2N3O3C13H17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	253.19026
ΔH_f, kcal/mol:	-205.37
Dipole, Da:	2.13
IP(EA), eV:	-9.1(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-5-methyl-2-propylpyrazol-3-yl)amino]-N-ethylpropanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC(=O)C1=CC(=C(C=C1F)F)N

DOS

IR

Vibrations