Geometry & MOs

Info

ID:	69220
PubChem CID:	46530472
Reduced:	O2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	441.160103
ΔH_f, kcal/mol:	48.81
Dipole, Da:	4.49
IP(EA), eV:	-8.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(carbamoylamino)phenyl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2/C=C/C(=O)NC3=CC=C(C=C3)NC(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations