Geometry & MOs

Info

ID:	158018
PubChem CID:	56459408
Reduced:	BrN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	428.125133
ΔH_f, kcal/mol:	-41.44
Dipole, Da:	5.09
IP(EA), eV:	-9.01(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-acetamido-5-chlorophenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations