Geometry & MOs

Info

ID:	422692
PubChem CID:	135118257
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	3.84
IP(EA), eV:	-8.8(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-acetyl-4-methylpyrimidin-2-yl)-1-(3-methoxyphenyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations