Geometry & MOs

Info

ID:	154680
PubChem CID:	56314172
Reduced:	FN2O2C23H25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	349.135718
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	5.97
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)NCC(C)(C)C3=CC=CC=C3F

DOS

IR

Vibrations