Geometry & MOs

Info

ID:	61507
PubChem CID:	26710052
Reduced:	BrN3O4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	7.97
IP(EA), eV:	-8.62(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC=C2NC(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations