Geometry & MOs

Info

ID:	158132
PubChem CID:	56463036
Reduced:	O2N3F5H14C18 (1)
Stoich.:	A2B3C5D14E18 (1)
Weight, g/mol:	468.156433
ΔH_f, kcal/mol:	-281.17
Dipole, Da:	0.99
IP(EA), eV:	-9.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC(F)(F)F)NC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F

DOS

IR

Vibrations