Geometry & MOs

Info

ID:	421542
PubChem CID:	135116184
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	36.49
Dipole, Da:	3.29
IP(EA), eV:	-9.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(pyrimidin-5-ylmethyl)spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CC(=NO3)C4=CN=CC=C4

DOS

IR

Vibrations