Geometry & MOs

Info

ID:	392949
PubChem CID:	135018638
Reduced:	N3O4C15H30 (1)
Stoich.:	A3B4C15D30 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-156.17
Dipole, Da:	5.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754398
Charge, e:	0

Chem-info

IUPAC name:

(3R,3'aR,6'S,6'aR)-6'-ethenyl-2',2'-dimethylspiro[1H-2-benzofuran-3,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]

Drug info:

PubChemData

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CC(C)[C@@H](C(=O)OC)N(C/C=C(\O)/OC)C(=[N+](C)C)N(C)C

DOS

IR

Vibrations