Geometry & MOs

Info

ID:	46453
PubChem CID:	10524479
Reduced:	Cl2N2O3H16C19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	390.09429
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	1.71
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-bromophenyl)methyl]-5-cyclopropyl-1-propylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(CC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3)(C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations