Geometry & MOs

Info

ID:	245584
PubChem CID:	99455466
Reduced:	ClO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	417.183461
ΔH_f, kcal/mol:	-33.8
Dipole, Da:	3.06
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCNC2=NC=CN=C2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations