Geometry & MOs

Info

ID:	145719
PubChem CID:	53581366
Reduced:	ClOSN4C13H15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	41.55
Dipole, Da:	6.22
IP(EA), eV:	-9.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]phenyl]acetamide

Drug info:

PubChemData

Smile

C1COCCC1N2C(=NN=N2)SCC3=CC=CC=C3Cl

DOS

IR

Vibrations