Geometry & MOs

Info

ID:	447551
PubChem CID:	135283797
Reduced:	F2N6H16C19 (1)
Stoich.:	A2B6C16D19 (1)
Weight, g/mol:	365.145202
ΔH_f, kcal/mol:	43.79
Dipole, Da:	6.41
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopyridin-4-yl)-N-[(2,6-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[2,3-c]pyridin-4-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations