Geometry & MOs

Info

ID:	126436
PubChem CID:	50965003
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	46.72
Dipole, Da:	4.37
IP(EA), eV:	-8.99(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-spiro[azepane-4,2'-chromene]-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC2=C(CCN(CC2)CC3=CC4=C(C=C3)N(N=N4)C)C(=O)N1C

DOS

IR

Vibrations