Geometry & MOs

Info

ID:	307803
PubChem CID:	125309432
Reduced:	OSN6C14H16 (1)
Stoich.:	ABC6D14E16 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	116.69
Dipole, Da:	3.08
IP(EA), eV:	-8.67(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=NN=C(C2)C3=NN4[C@H](NN=C4S3)C(C)C

DOS

IR

Vibrations