Geometry & MOs

Info

ID:	170916
PubChem CID:	75301039
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	4.1
IP(EA), eV:	-9.92(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1(CC2CC3(CCC(=O)C3(C2C1)C)O)C(=O)OC

DOS

IR

Vibrations