Geometry & MOs

Info

ID:	333344
PubChem CID:	127251896
Reduced:	FON6C20H25 (1)
Stoich.:	ABC6D20E25 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	3.36
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CCN(C2)CC(=O)NC3=CC=CC=C3F)C4CCNC4

DOS

IR

Vibrations