Geometry & MOs

Info

ID:	162414
PubChem CID:	57394586
Reduced:	NO12C16H27 (1)
Stoich.:	AB12C16D27 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-535.4
Dipole, Da:	5.41
IP(EA), eV:	-10.06(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8E)-8-[(1-adamantylamino)methylidene]-4-methyl-2,7-dioxobenzo[h]chromene-10-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC)O)O

DOS

IR

Vibrations