Geometry & MOs

Info

ID:	130759
PubChem CID:	51101452
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	1.73
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N(C)C3CCCCCCC3

DOS

IR

Vibrations