Geometry & MOs

Info

ID:	69219
PubChem CID:	46530471
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	5.32
IP(EA), eV:	-9.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC=C2)NC(=O)CN3C(=O)C4(CCC5=CC=CC=C54)NC3=O

DOS

IR

Vibrations