Geometry & MOs

Info

ID:	333808
PubChem CID:	127252360
Reduced:	O2F3N7C18H18 (1)
Stoich.:	A2B3C7D18E18 (1)
Weight, g/mol:	312.169859
ΔH_f, kcal/mol:	-120.8
Dipole, Da:	4.81
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-[2-[(3-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=CC=CC(=N2)C3CN(CCO3)C(=O)C4=NNC(=C4)C(F)(F)F

DOS

IR

Vibrations