Geometry & MOs

Info

ID:	390869
PubChem CID:	135001374
Reduced:	O3H16C18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	4.17
IP(EA), eV:	-9.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-tert-butyl-5-phenyl-4,5-dihydro-1,3-dioxepine

Drug info:

PubChemData

Smile

CC(=O)OC/C(=C/C1=CC(=CC=C1)C=O)/C2=CC=CC=C2

DOS

IR

Vibrations