Geometry & MOs

Info

ID:	333548
PubChem CID:	127252100
Reduced:	ClON5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	380.115237
ΔH_f, kcal/mol:	47.76
Dipole, Da:	4.52
IP(EA), eV:	-9.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations