Geometry & MOs

Info

ID:	314813
PubChem CID:	126623396
Reduced:	BrN3O3C16H22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	506.206639
ΔH_f, kcal/mol:	-134.99
Dipole, Da:	4.56
IP(EA), eV:	-9.31(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-acetyl-5-[2-(2-methylpyrimidin-5-yl)ethynyl]indol-1-yl]acetyl]-N-(6-methylpyridin-2-yl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCCC1C(=O)NC2=NC(=CC=C2)Br

DOS

IR

Vibrations