Geometry & MOs

Info

ID:	314727
PubChem CID:	126622887
Reduced:	BrNO2H10C12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	482.206639
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	4.98
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetyl]-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)Br)CC=O

DOS

IR

Vibrations