Geometry & MOs

Info

ID:	129731
PubChem CID:	51073660
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	41.64
Dipole, Da:	0.75
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylindol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NNC(=S)N1CC(=O)N(CC2=CN=CC=C2)C3CC3

DOS

IR

Vibrations