Geometry & MOs

Info

ID:	130875
PubChem CID:	51119582
Reduced:	BrN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	337.106256
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	4.24
IP(EA), eV:	-8.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(N3)C=C(C=C4)Br

DOS

IR

Vibrations