Geometry & MOs

Info

ID:	353013
PubChem CID:	127284163
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	0.14
Dipole, Da:	6.91
IP(EA), eV:	-9.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4)N=N1

DOS

IR

Vibrations