Geometry & MOs

Info

ID:	264211
PubChem CID:	103441767
Reduced:	ON3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	307.146681
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	4.01
IP(EA), eV:	-8.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(C(C1)CN)CC(=O)NC2=CC(=C(C=C2)C)C

DOS

IR

Vibrations