Geometry & MOs

Info

ID:	333594
PubChem CID:	127252146
Reduced:	FO2N6H19C20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	-6.16
Dipole, Da:	3.55
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC=N3)C(=O)COC4=CC=C(C=C4)F

DOS

IR

Vibrations