Geometry & MOs

Info

ID:	369200
PubChem CID:	127331507
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-180.04
Dipole, Da:	3.39
IP(EA), eV:	-8.63(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations