Geometry & MOs

Info

ID:	273483
PubChem CID:	103771198
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	2.36
IP(EA), eV:	-9.09(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations