Geometry & MOs

Info

ID:	158074
PubChem CID:	56462776
Reduced:	O2F3N3C22H22 (1)
Stoich.:	A2B3C3D22E22 (1)
Weight, g/mol:	469.175004
ΔH_f, kcal/mol:	-190.96
Dipole, Da:	7.52
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[4-(3-cyanopyridin-2-yl)oxy-2-methylphenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)NC(=O)/C=C(/C3=CC=CC=C3)\C(F)(F)F

DOS

IR

Vibrations