Geometry & MOs

Info

ID:	403786
PubChem CID:	135061833
Reduced:	O4C23H28 (1)
Stoich.:	A4B23C28 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-131.47
Dipole, Da:	1.03
IP(EA), eV:	-9.26(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (3S,3aR)-3,8-dimethyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]2[C@@H](C2(C1)C3[C@H]4[C@@H]3CCCC4)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations