Geometry & MOs

Info

ID:	131211
PubChem CID:	51175763
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-150.68
Dipole, Da:	4.07
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(2-phenoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(=O)C2CC3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations