Geometry & MOs

Info

ID:	317702
PubChem CID:	126645207
Reduced:	ClN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	3.99
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[(4-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Cl)CN2C(=O)COC3=C2C=C(C=C3)C(=O)NO

DOS

IR

Vibrations