Geometry & MOs

Info

ID:	214172
PubChem CID:	81087187
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	2.51
IP(EA), eV:	-9.34(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)N(CC1=CC=CC=N1)C(C)C)CN

DOS

IR

Vibrations