Geometry & MOs

Info

ID:	136383
PubChem CID:	52031439
Reduced:	N2O5C26H34 (1)
Stoich.:	A2B5C26D34 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-191.21
Dipole, Da:	3.7
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-3-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CNC(=O)CCN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C)OCC

DOS

IR

Vibrations