Geometry & MOs

Info

ID:	177947
PubChem CID:	76255549
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-63.3
Dipole, Da:	10.77
IP(EA), eV:	-8.75(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)N2CCC3=C2C=CC(=C3)C(=O)OC)C

DOS

IR

Vibrations