Geometry & MOs

Info

ID:	415441
PubChem CID:	135088435
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	283.179696
ΔH_f, kcal/mol:	-16.36
Dipole, Da:	5.2
IP(EA), eV:	-9.5(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1'-(1H-pyrazol-5-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCCC2=NC(=NO2)C3=CN=CC=C3)O)CC4=CC=CC=N4

DOS

IR

Vibrations