Geometry & MOs

Info

ID:	152442
PubChem CID:	56311369
Reduced:	N4O4C21H32 (1)
Stoich.:	A4B4C21D32 (1)
Weight, g/mol:	441.189986
ΔH_f, kcal/mol:	-188.92
Dipole, Da:	4.66
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC(=O)NC(C)(C)C

DOS

IR

Vibrations