Geometry & MOs

Info

ID:	313978
PubChem CID:	126619308
Reduced:	N5C14H23 (2)
Stoich.:	A5B14C23 (2)
Weight, g/mol:	253.170274
ΔH_f, kcal/mol:	46.43
Dipole, Da:	4.95
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-fluoro-4-methyl-1H-pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)/C=C/C1=CC(=NC(=N1)N)N2CC[C@H](C2)N.C1CCC(CC1)C2=CC(=NC(=N2)N)N3CC(C3)CN

DOS

IR

Vibrations