Geometry & MOs

Info

ID:	439007
PubChem CID:	135228769
Reduced:	NOC14H17 (2)
Stoich.:	ABC14D17 (2)
Weight, g/mol:	384.266445
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	11.54
IP(EA), eV:	-7.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,2E)-5-[4,5-dimethyl-2-(2,3,3-trimethylbutyl)phenyl]-2-ethylidene-3-oxohex-4-enoate

Drug info:

PubChemData

Smile

C/C(=C/C(=C(\C=C)/C1=C(C=C2C(=C1)CC(N3C2=CC(=C)C(=C3)C(=C)O)C(C)(C)C)O)/C)/N

DOS

IR

Vibrations