Geometry & MOs

Info

ID:	79275
PubChem CID:	49747778
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-126.68
Dipole, Da:	6.06
IP(EA), eV:	-8.77(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)N4CCOCC4

DOS

IR

Vibrations