Geometry & MOs

Info

ID:	126147
PubChem CID:	50953247
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	249.129969
ΔH_f, kcal/mol:	-96.32
Dipole, Da:	5.63
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(3-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC=C(C=C1)NC(=O)CNCC(C2=CC=CC=C2Cl)O

DOS

IR

Vibrations