Geometry & MOs

Info

ID:	333553
PubChem CID:	127252105
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	23.38
Dipole, Da:	3.03
IP(EA), eV:	-9.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(C2)C3=NC(=NC=C3)NC4=NC=CN=C4

DOS

IR

Vibrations