Geometry & MOs

Info

ID:	330021
PubChem CID:	127247008
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	32.88
Dipole, Da:	5.18
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)C(=O)N3CCCC3C4=CN=CC(=N4)NC

DOS

IR

Vibrations