Geometry & MOs

Info

ID:	366343
PubChem CID:	127319808
Reduced:	ClO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	7.14
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations