Geometry & MOs

Info

ID:	175812
PubChem CID:	75951550
Reduced:	BrO4C29H41 (1)
Stoich.:	AB4C29D41 (1)
Weight, g/mol:	396.13001
ΔH_f, kcal/mol:	-181.44
Dipole, Da:	5.72
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromopentyl 2-(3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CCCC(=CCC2=C(C=CC(=C2)C(=O)OC(CCC(=CCC1)C)C(C)(C)Br)OCOC)C

DOS

IR

Vibrations