Geometry & MOs

Info

ID:	415893
PubChem CID:	135088895
Reduced:	NOF4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	388.229683
ΔH_f, kcal/mol:	-232.35
Dipole, Da:	2.11
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)F)CN2CCC[C@@]3(C2)CCC[C@H]3O)F)F

DOS

IR

Vibrations