Geometry & MOs

Info

ID:	188698
PubChem CID:	77757141
Reduced:	N2O8C17H24 (1)
Stoich.:	A2B8C17D24 (1)
Weight, g/mol:	456.26376
ΔH_f, kcal/mol:	-339.64
Dipole, Da:	7.45
IP(EA), eV:	-8.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-phenyl-6-[4-(1-phenylprop-1-en-2-yl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1NC(CC2=CC=C(C=C2)O)C(=O)O)CO)O)O

DOS

IR

Vibrations