Geometry & MOs

Info

ID:	54528
PubChem CID:	17388831
Reduced:	S3O4N5H23C25 (1)
Stoich.:	A3B4C5D23E25 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	4.0
IP(EA), eV:	-8.81(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-N-methyl-2-pyridin-2-ylethanamine;oxalic acid

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCC4=CC=CC=C4

DOS

IR

Vibrations