Geometry & MOs

Info

ID:	130650
PubChem CID:	51091891
Reduced:	ClSO2N4C13H13 (1)
Stoich.:	ABC2D4E13F13 (1)
Weight, g/mol:	310.104146
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	2.57
IP(EA), eV:	-9.0(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NCC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations