Geometry & MOs

Info

ID:	183866
PubChem CID:	77083039
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-78.48
Dipole, Da:	6.68
IP(EA), eV:	-9.27(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5,6-dimethylpyrazin-2-yl)phenyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CN1C(=CC=C1C(=O)N2CCS(=O)(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations