Geometry & MOs

Info

ID:	364969
PubChem CID:	127316619
Reduced:	N2O3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	4.38
IP(EA), eV:	-9.45(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CC(=O)NCC2=CC(=NC=C2)OC3CCOCC3

DOS

IR

Vibrations