Geometry & MOs

Info

ID:	353147
PubChem CID:	127284327
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	6.9
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-oxo-N-[(1-propylpiperidin-4-yl)methyl]-4H-1,4-benzoxazine-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CSCC3C(=O)NCC4CC4

DOS

IR

Vibrations