Geometry & MOs

Info

ID:	63348
PubChem CID:	26758122
Reduced:	FOSN7H22C24 (1)
Stoich.:	ABCD7E22F24 (1)
Weight, g/mol:	453.237604
ΔH_f, kcal/mol:	62.41
Dipole, Da:	1.82
IP(EA), eV:	-8.94(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F

DOS

IR

Vibrations