Geometry & MOs

Info

ID:	178555
PubChem CID:	76348351
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	3.42
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC=C1)CON=C(C2=CC=CC(=C2)CN3CCOCC3)N

DOS

IR

Vibrations