Geometry & MOs

Info

ID:	364974
PubChem CID:	127316624
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-152.84
Dipole, Da:	2.53
IP(EA), eV:	-9.49(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=CC(=NC=C4)OC5CCOCC5)C

DOS

IR

Vibrations