Geometry & MOs

Info

ID:	416245
PubChem CID:	135089257
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	400.193297
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	3.15
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CN=CC=C2)C(=O)C3=C(ON=C3N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations