Geometry & MOs

Info

ID:	321948
PubChem CID:	126667453
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	103.31
Dipole, Da:	6.75
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-amine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=CC(=NC=C3)N)N=CC=C2

DOS

IR

Vibrations