Geometry & MOs

Info

ID:	179110
PubChem CID:	76435032
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	362.149124
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	7.47
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-oxo-2-pyridin-4-yl-1,2,3,4a,5,6,8,8a-octahydropyrido[3,4-d]pyrimidine-7-carbonyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SN=N1)CN2CC3C(C2)OC(=O)N3CCCN4CCOCC4

DOS

IR

Vibrations