Geometry & MOs

Info

ID:	386483
PubChem CID:	134981896
Reduced:	INO3C18H30 (1)
Stoich.:	ABC3D18E30 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-149.02
Dipole, Da:	2.86
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-butyl-8a-methyl-2,3-dihydroazulen-1-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/I)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations