Geometry & MOs

Info

ID:	414630
PubChem CID:	135087589
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	3.48
IP(EA), eV:	-9.56(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC1=NOC(=C1C(=O)O)C2=CC=CC=C2)COC

DOS

IR

Vibrations