Geometry & MOs

Info

ID:	421471
PubChem CID:	135116062
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	378.216809
ΔH_f, kcal/mol:	-151.0
Dipole, Da:	3.44
IP(EA), eV:	-9.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-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

CC1=CC=CC=C1CC(=O)N2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations