Geometry & MOs

Info

ID:	351653
PubChem CID:	127280720
Reduced:	O2S2N5C12H15 (1)
Stoich.:	A2B2C5D12E15 (1)
Weight, g/mol:	268.107259
ΔH_f, kcal/mol:	6.25
Dipole, Da:	5.91
IP(EA), eV:	-8.81(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyltetrazol-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)S(=O)(=O)N2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations