Geometry & MOs

Info

ID:	285532
PubChem CID:	104110358
Reduced:	ClNOC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	231.048463
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	5.47
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC(C)Cl)NC(=O)CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations