Geometry & MOs

Info

ID:	352954
PubChem CID:	127284045
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-124.47
Dipole, Da:	9.12
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-(1-methyl-2-oxopyridine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CN(C3=O)C)C

DOS

IR

Vibrations