Geometry & MOs

Info

ID:	417052
PubChem CID:	135091230
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	357.195346
ΔH_f, kcal/mol:	46.71
Dipole, Da:	3.65
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-(6-methylpyridazin-3-yl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCN(C)CC2CC(=NO2)C3=CC=CC=C3)C

DOS

IR

Vibrations