Geometry & MOs

Info

ID:	311367
PubChem CID:	126591159
Reduced:	N5H21C34 (1)
Stoich.:	A5B21C34 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	221.81
Dipole, Da:	3.75
IP(EA), eV:	-8.35(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8aS)-6,7-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=CC=CC=C5C6=CC=CC=C64)C7=CC=CC(=C7)C#N

DOS

IR

Vibrations