Geometry & MOs

Info

ID:	416321
PubChem CID:	135089334
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	19.18
Dipole, Da:	3.85
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=C(SC2=NC=NC(=C12)N[C@@H]3COC[C@H]3CC4=CC=NC=C4)C

DOS

IR

Vibrations