Geometry & MOs

Info

ID:	271282
PubChem CID:	103653869
Reduced:	OCl2N2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	243.219829
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	3.54
IP(EA), eV:	-9.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-ethylpentan-2-ylamino)hexanoate

Drug info:

PubChemData

Smile

CCC(CC)C(C)NC(=O)C1=C(N=C(C=C1)Cl)Cl

DOS

IR

Vibrations