Geometry & MOs

Info

ID:	178657
PubChem CID:	76363608
Reduced:	ON2C8H12 (3)
Stoich.:	AB2C8D12 (3)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	7.23
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)NC3N2NCC3C(=O)N(CCCN4CCOCC4)CC5=CC=NC=C5

DOS

IR

Vibrations