Geometry & MOs

Info

ID:	151150
PubChem CID:	53790849
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	426.137115
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	3.48
IP(EA), eV:	-10.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-2-fluoroanilino)pyrido[3,4-d]pyrimidin-6-yl]-6-(dimethylamino)hex-2-ynamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(C(=O)C1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations