Geometry & MOs

Info

ID:	357678
PubChem CID:	127294352
Reduced:	ON7C19H31 (1)
Stoich.:	AB7C19D31 (1)
Weight, g/mol:	359.152829
ΔH_f, kcal/mol:	24.3
Dipole, Da:	5.52
IP(EA), eV:	-8.61(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)CC3=CN(N=C3)C)C(C)(C)C

DOS

IR

Vibrations