Geometry & MOs

Info

ID:	194998
PubChem CID:	78618649
Reduced:	O3N4C11H19 (1)
Stoich.:	A3B4C11D19 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	8.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810673
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpentan-3-ylideneamino)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C[NH+]2CCCC(C2)O)C)[N+](=O)[O-]

DOS

IR

Vibrations