Geometry & MOs

Info

ID:	364981
PubChem CID:	127316631
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	2.97
IP(EA), eV:	-9.31(-0.47)
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-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NCC2=CC(=NC=C2)OC3CCOCC3

DOS

IR

Vibrations