Geometry & MOs

Info

ID:	203054
PubChem CID:	79770633
Reduced:	FNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	264.138639
ΔH_f, kcal/mol:	-64.15
Dipole, Da:	3.68
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-N-(1-methylpyrazol-3-yl)-5-propan-2-yloxybenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC(C2=CC=CS2)C(C)C)F

DOS

IR

Vibrations