Geometry & MOs

Info

ID:	217473
PubChem CID:	85087873
Reduced:	BrO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	368.05268
ΔH_f, kcal/mol:	-118.37
Dipole, Da:	2.92
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenylseleninyl-4-prop-1-enyl-3a,4,6,7,8,8a-hexahydro-1H-furo[3,4-c]oxepin-3-one

Drug info:

PubChemData

Smile

CC1(CCCC(=C)C1CC2=C(C=CC(=C2)OC)Br)C(=O)OC

DOS

IR

Vibrations