Geometry & MOs

Info

ID:	223624
PubChem CID:	85335325
Reduced:	FN2O3C28H29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	464.209137
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	2.46
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-[(4-chlorophenoxy)methyl]-N-(5-methylpyrazolidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC3=C(C2=CCCN4CCC(CC4)(C5=CC=C(C=C5)F)O)C=CC=N3

DOS

IR

Vibrations