Geometry & MOs

Info

ID:	187394
PubChem CID:	77568672
Reduced:	ClOSN9C16H18 (1)
Stoich.:	ABCD9E16F18 (1)
Weight, g/mol:	483.299811
ΔH_f, kcal/mol:	116.72
Dipole, Da:	8.57
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1'-benzyl-4-[(propan-2-ylamino)methyl]spiro[2H-indole-3,3'-pyrrolidine]-1-yl]-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCC2=NN(N=N2)C3=CC(=CC=C3)Cl)C4CC(=O)NNC4

DOS

IR

Vibrations