Geometry & MOs

Info

ID:	415839
PubChem CID:	135088841
Reduced:	F3N5C11H16 (1)
Stoich.:	A3B5C11D16 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	4.44
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N)N2CCN(CC2)CC(F)(F)F

DOS

IR

Vibrations