Geometry & MOs

Info

ID:	223409
PubChem CID:	85334990
Reduced:	NSO4H13C17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	2.91
IP(EA), eV:	-8.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(aminomethyl)-2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene]-1-cycloheptylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C(=CC=CC2=CC(=C(C=C2)O)O)C#N

DOS

IR

Vibrations