Geometry & MOs

Info

ID:	431
PubChem CID:	2759
Reduced:	N3O5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	417.226371
ΔH_f, kcal/mol:	-160.83
Dipole, Da:	2.79
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3

DOS

IR

Vibrations