Geometry & MOs

Info

ID:	79278
PubChem CID:	49747782
Reduced:	N3O5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	456.226037
ΔH_f, kcal/mol:	-155.08
Dipole, Da:	3.78
IP(EA), eV:	-8.73(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O)N4CCOCC4

DOS

IR

Vibrations