Geometry & MOs

Info

ID:	188635
PubChem CID:	77746195
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	1.95
IP(EA), eV:	-9.29(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(oxan-2-yloxy)hex-2-enoate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC(=C1)C#CC2(CC2)O)C(=O)C3CNC4C(C3=O)CCCN4

DOS

IR

Vibrations