Geometry & MOs

Info

ID:	140209
PubChem CID:	52663019
Reduced:	ON3F4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	2.92
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)F)C

DOS

IR

Vibrations