Geometry & MOs

Info

ID:	63435
PubChem CID:	26758339
Reduced:	FNO2H7C9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-205.57
Dipole, Da:	2.14
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations