Geometry & MOs

Info

ID:	333559
PubChem CID:	127252111
Reduced:	ON6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	62.15
Dipole, Da:	5.18
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CN=C3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations