Geometry & MOs

Info

ID:	183877
PubChem CID:	77084572
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	358.175339
ΔH_f, kcal/mol:	-87.45
Dipole, Da:	5.03
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCN(CC2)C(=O)C3=CC=C(S3)COC)O

DOS

IR

Vibrations