Geometry & MOs

Info

ID:	383030
PubChem CID:	134974520
Reduced:	N5O6C31H37 (1)
Stoich.:	A5B6C31D37 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-195.72
Dipole, Da:	5.44
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-oxacyclohexadeca-3,8-dien-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C[C@@H](C(=O)NCC1=CN(N=N1)[C@H]2CCCCO2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations