Geometry & MOs

Info

ID:	275790
PubChem CID:	103817780
Reduced:	NOF5H10C14 (1)
Stoich.:	ABC5D10E14 (1)
Weight, g/mol:	315.094996
ΔH_f, kcal/mol:	-234.92
Dipole, Da:	4.26
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(difluoromethoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCC2=CC(=C(C=C2F)F)F)OC(F)F

DOS

IR

Vibrations