Geometry & MOs

Info

ID:	333558
PubChem CID:	127252110
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	63.39
Dipole, Da:	4.23
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC=N3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations