Geometry & MOs

Info

ID:	79243
PubChem CID:	49747618
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-92.25
Dipole, Da:	4.91
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)C(=O)NCC(C2=CC=C(C=C2)OC)N3CCOCC3

DOS

IR

Vibrations