Geometry & MOs

Info

ID:	376904
PubChem CID:	134222936
Reduced:	ON2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	508.234665
ΔH_f, kcal/mol:	57.21
Dipole, Da:	3.37
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(3-methylpiperidin-4-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=O)N1)C#C)C2=CC=NC=C2

DOS

IR

Vibrations