Geometry & MOs

Info

ID:	420605
PubChem CID:	135114267
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	331.156373
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	4.28
IP(EA), eV:	-8.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[2-(4-chloropyrazol-1-yl)ethyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3)C(=O)N

DOS

IR

Vibrations