Geometry & MOs

Info

ID:	324674
PubChem CID:	126678115
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	405.215138
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	7.4
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[(Z)-1-ethoxy-1-oxopent-2-en-3-yl]amino]methyl]phenoxy]propyl 3-oxopentanoate

Drug info:

PubChemData

Smile

CC/C(=C/C(=O)OCC)/NCC1=CC=C(C=C1)OC

DOS

IR

Vibrations