Geometry & MOs

Info

ID:	333277
PubChem CID:	127251829
Reduced:	ON6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	427.201968
ΔH_f, kcal/mol:	-9.01
Dipole, Da:	6.0
IP(EA), eV:	-8.17(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CCN1CCCC2=C1C=CC(=C2)CN3CCC4=C(C3)C(=NC(=N4)C5CCN(C5)C(=O)C)NC

DOS

IR

Vibrations