Geometry & MOs

Info

ID:	420759
PubChem CID:	135114773
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-145.27
Dipole, Da:	5.6
IP(EA), eV:	-9.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[4-[[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)C3CC4=CC=CC=C4C3

DOS

IR

Vibrations