Geometry & MOs

Info

ID:	353610
PubChem CID:	127285187
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	7.88
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)CCN2C(=O)CSC3=CC=CC=C32

DOS

IR

Vibrations