Geometry & MOs

Info

ID:	367877
PubChem CID:	127326018
Reduced:	ON6C17H26 (1)
Stoich.:	AB6C17D26 (1)
Weight, g/mol:	375.209282
ΔH_f, kcal/mol:	25.9
Dipole, Da:	7.26
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations