Geometry & MOs

Info

ID:	405167
PubChem CID:	135072806
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-182.55
Dipole, Da:	5.09
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-3-enyl [(4S,5S)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl] carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations