Geometry & MOs

Info

ID:	333290
PubChem CID:	127251842
Reduced:	OSN6C24H28 (1)
Stoich.:	ABC6D24E28 (1)
Weight, g/mol:	445.192546
ΔH_f, kcal/mol:	49.65
Dipole, Da:	6.64
IP(EA), eV:	-8.91(-0.66)
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-(2,4-difluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4=CSC(=N4)CC5=CC=CC=C5

DOS

IR

Vibrations