Geometry & MOs

Info

ID:	333547
PubChem CID:	127252099
Reduced:	FON6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	379.119988
ΔH_f, kcal/mol:	29.49
Dipole, Da:	5.12
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations