Geometry & MOs

Info

ID:	355318
PubChem CID:	127288295
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	5.14
IP(EA), eV:	-9.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1)NC(=O)CN2CCC3=CN=CN=C3C2

DOS

IR

Vibrations