Geometry & MOs

Info

ID:	415373
PubChem CID:	135088367
Reduced:	ClO2N3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	6.16
IP(EA), eV:	-8.86(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1'-thieno[3,2-d]pyrimidin-4-ylspiro[3,4-dihydroisochromene-1,4'-piperidine]

Drug info:

PubChemData

Smile

CCCN1CCCC(C1)NC2=C(C=C(C=N2)C(=O)O)Cl

DOS

IR

Vibrations