Geometry & MOs

Info

ID:	447552
PubChem CID:	135283802
Reduced:	F2N5H17C20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	349.133888
ΔH_f, kcal/mol:	32.82
Dipole, Da:	6.72
IP(EA), eV:	-8.48(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-fluoro-5-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=NCC2=N1)C3=CC(=NC=C3)N)NCC4=C(C=CC=C4F)F

DOS

IR

Vibrations