Geometry & MOs

Info

ID:	426880
PubChem CID:	135154322
Reduced:	F3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	360.169859
ΔH_f, kcal/mol:	-305.34
Dipole, Da:	5.21
IP(EA), eV:	-10.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-methoxy-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)phenyl]-4-N,6-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCCC(C1=CC(=C(C=C1)C(F)(F)F)C(=O)OC(C)C)O

DOS

IR

Vibrations