Geometry & MOs

Info

ID:	383059
PubChem CID:	134974562
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	380.183503
ΔH_f, kcal/mol:	-136.18
Dipole, Da:	3.13
IP(EA), eV:	-9.04(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C1C(=O)C=C(C(C1=O)C(C2=CC=CC=C2N)O)O

DOS

IR

Vibrations