Geometry & MOs

Info

ID:	421622
PubChem CID:	135116311
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	391.180839
ΔH_f, kcal/mol:	60.06
Dipole, Da:	1.15
IP(EA), eV:	-8.52(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)N)CN(C1)C4=CC=CC=N4

DOS

IR

Vibrations