Geometry & MOs

Info

ID:	419177
PubChem CID:	135107678
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	-34.14
Dipole, Da:	4.83
IP(EA), eV:	-8.9(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=C(NN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations