Geometry & MOs

Info

ID:	333541
PubChem CID:	127252093
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	16.71
Dipole, Da:	5.24
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=CC(=N2)C3CCN(C3)C(=O)C

DOS

IR

Vibrations