Geometry & MOs

Info

ID:	419322
PubChem CID:	135107976
Reduced:	OSN4C18H28 (1)
Stoich.:	ABC4D18E28 (1)
Weight, g/mol:	380.176775
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	3.66
IP(EA), eV:	-8.82(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[(5-chloro-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2=CC=C(S2)CN3CCCCC3

DOS

IR

Vibrations