Geometry & MOs

Info

ID:	448299
PubChem CID:	135289993
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	461.195071
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	5.77
IP(EA), eV:	-9.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-cyanophenyl)-3-[3-methoxy-2-(2-morpholin-4-ylethoxy)-4-prop-2-ynoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1OC)OCC2CC2)C=O

DOS

IR

Vibrations