Geometry & MOs

Info

ID:	447550
PubChem CID:	135283781
Reduced:	OC12H26 (1)
Stoich.:	AB12C26 (1)
Weight, g/mol:	366.140451
ΔH_f, kcal/mol:	-92.46
Dipole, Da:	1.36
IP(EA), eV:	-9.49(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(C)(C)C.CC(=C)C

DOS

IR

Vibrations