Geometry & MOs

Info

ID:	244693
PubChem CID:	99376425
Reduced:	BrN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	2.26
IP(EA), eV:	-9.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCC(=O)NCC2=CC=NC=C2)OCC3=CC(=CC=C3)Br

DOS

IR

Vibrations