Geometry & MOs

Info

ID:	37794
PubChem CID:	8024503
Reduced:	ClS2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	81.93
Dipole, Da:	4.6
IP(EA), eV:	-8.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NN=C(S2)SCC(=C)Cl

DOS

IR

Vibrations