Geometry & MOs

Info

ID:	412891
PubChem CID:	135085827
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	182.057909
ΔH_f, kcal/mol:	-8.03
Dipole, Da:	0.67
IP(EA), eV:	-8.61(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 6-O-methyl (E)-hex-2-en-4-ynedioate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H](C=C)N

DOS

IR

Vibrations