Geometry & MOs

Info

ID:	416062
PubChem CID:	135089067
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	349.19026
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	3.31
IP(EA), eV:	-9.54(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NOC(=C2C(=O)O)C3=CC=CC=C3)CCN

DOS

IR

Vibrations