Geometry & MOs

Info

ID:	344125
PubChem CID:	127267301
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	6.3
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(dimethylamino)-2-methylpentan-2-yl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCC1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)OCC(=O)N3

DOS

IR

Vibrations