Geometry & MOs

Info

ID:	352993
PubChem CID:	127284114
Reduced:	ClSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-79.82
Dipole, Da:	5.76
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2CSCN2C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations