Geometry & MOs

Info

ID:	30674
PubChem CID:	841697
Reduced:	NOC18H33 (1)
Stoich.:	ABC18D33 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-111.25
Dipole, Da:	3.5
IP(EA), eV:	-9.6(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)C(=O)NC2CCCCCC2

DOS

IR

Vibrations