Geometry & MOs

Info

ID:	394284
PubChem CID:	135022678
Reduced:	O8C25H29 (1)
Stoich.:	A8B25C29 (1)
Weight, g/mol:	278.115424
ΔH_f, kcal/mol:	-264.15
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754792
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(2-hydroxypropan-2-yl)-4-methyl-5,11-dioxatricyclo[6.2.1.02,6]undeca-2(6),3,9-triene-3-carboxylate

Drug info:

PubChemData

Smile

CC([CH2])(OC)OC1[C@H](OC2COC(O[C@H]2C1OC(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations