Geometry & MOs

Info

ID:	358676
PubChem CID:	127296466
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	24.79
Dipole, Da:	5.13
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3CCCCC3C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations