Geometry & MOs

Info

ID:	423089
PubChem CID:	135118923
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	42.23
Dipole, Da:	8.6
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-3-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2N1)CN(C)CCN3C=CN=C3C

DOS

IR

Vibrations