Geometry & MOs

Info

ID:	265322
PubChem CID:	103517190
Reduced:	OF2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	261.165269
ΔH_f, kcal/mol:	-112.79
Dipole, Da:	2.53
IP(EA), eV:	-8.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,2-difluoro-1-(4-methoxy-2-propylpyrazol-3-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)OC)C(C(F)F)NC

DOS

IR

Vibrations