Geometry & MOs

Info

ID:	382422
PubChem CID:	134973563
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	310.214409
ΔH_f, kcal/mol:	-205.26
Dipole, Da:	1.6
IP(EA), eV:	-9.19(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-butyl 6-O-ethyl (E)-5-methyl-4-(3-methylbut-2-en-2-yl)hex-2-enedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC(=O)C(C)(C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations