Geometry & MOs

Info

ID:	395730
PubChem CID:	135026375
Reduced:	NO2C24H27 (1)
Stoich.:	AB2C24D27 (1)
Weight, g/mol:	376.224974
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	3.88
IP(EA), eV:	-8.12(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[4-(6-ethoxy-6-oxohexoxy)phenyl]-2,2-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)/C=C/C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C

DOS

IR

Vibrations