Geometry & MOs

Info

ID:	257222
PubChem CID:	103144488
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	4.41
IP(EA), eV:	-8.08(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2-(thian-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NC1=CC(=C(C=C1C)N)C

DOS

IR

Vibrations