Geometry & MOs

Info

ID:	322508
PubChem CID:	126670304
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	504.23975
ΔH_f, kcal/mol:	51.91
Dipole, Da:	3.99
IP(EA), eV:	-8.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-fluoropyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=NC2=C(N1CCNC)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations