Geometry & MOs

Info

ID:	344552
PubChem CID:	127268136
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	3.55
IP(EA), eV:	-8.94(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)N2CCN(CC2)CC(=O)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations