Geometry & MOs

Info

ID:	347557
PubChem CID:	127272412
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	4.24
IP(EA), eV:	-8.94(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(pyrazin-2-ylamino)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCCNC3=NC=CN=C3

DOS

IR

Vibrations