Geometry & MOs

Info

ID:	147964
PubChem CID:	53787625
Reduced:	ClO3N4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	4.12
IP(EA), eV:	-8.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)acetamide;1,4-xylene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNCCCNC2=C(C=NNC2=O)Cl)OC

DOS

IR

Vibrations