Geometry & MOs

Info

ID:	449914
PubChem CID:	135302491
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	18.88
Dipole, Da:	5.95
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-[3-[2-(prop-2-enoylamino)ethoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(N=N1)C2=CC3=CC(=NC=C3C=C2)NC(=O)CN4C[C@H]5CCC[C@@H]4CO5

DOS

IR

Vibrations