Geometry & MOs

Info

ID:	70547
PubChem CID:	48413494
Reduced:	ON2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	392.20597
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	5.38
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCCC3=N2

DOS

IR

Vibrations