Geometry & MOs

Info

ID:	436290
PubChem CID:	135198189
Reduced:	ClN4H13C18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	526.212867
ΔH_f, kcal/mol:	105.82
Dipole, Da:	5.3
IP(EA), eV:	-8.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-(4-fluorophenyl)-1-(3-methoxypropyl)-4-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3Cl)C4=CC=C(C=C4)N

DOS

IR

Vibrations