Geometry & MOs

Info

ID:	419971
PubChem CID:	135110440
Reduced:	NO6C17H21 (1)
Stoich.:	AB6C17D21 (1)
Weight, g/mol:	326.09681
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	5.84
IP(EA), eV:	-8.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OC

DOS

IR

Vibrations