Geometry & MOs

Info

ID:	329958
PubChem CID:	127246945
Reduced:	ClO2N5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	336.158626
ΔH_f, kcal/mol:	6.06
Dipole, Da:	6.66
IP(EA), eV:	-8.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-chromen-3-yl-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCC3=CC(=NO3)Cl

DOS

IR

Vibrations