Geometry & MOs

Info

ID:	270427
PubChem CID:	103636546
Reduced:	ION3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	295.043378
ΔH_f, kcal/mol:	25.21
Dipole, Da:	3.22
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(2-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCN(CC2)CC#N)I

DOS

IR

Vibrations