Geometry & MOs

Info

ID:	415331
PubChem CID:	135088325
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-111.91
Dipole, Da:	1.25
IP(EA), eV:	-8.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=CN=CN4)OC

DOS

IR

Vibrations