Geometry & MOs

Info

ID:	423509
PubChem CID:	135119634
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	2.21
IP(EA), eV:	-9.41(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations