Geometry & MOs

Info

ID:	359024
PubChem CID:	127297268
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-58.68
Dipole, Da:	4.37
IP(EA), eV:	-8.75(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)CCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations