Geometry & MOs

Info

ID:	150228
PubChem CID:	53789915
Reduced:	ON2H10C18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	457.355594
ΔH_f, kcal/mol:	172.29
Dipole, Da:	3.64
IP(EA), eV:	-8.93(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(octadecylamino)-3-oxoprop-1-enyl]phenyl] acetate

Drug info:

PubChemData

Smile

C#CC1=CC(=NC=C1)C2=CC=C(O2)C3=NC=CC(=C3)C#C

DOS

IR

Vibrations