Geometry & MOs

Info

ID:	135084
PubChem CID:	51811407
Reduced:	NO2C15H19 (2)
Stoich.:	AB2C15D19 (2)
Weight, g/mol:	490.283158
ΔH_f, kcal/mol:	-133.73
Dipole, Da:	1.29
IP(EA), eV:	-8.64(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(2-methoxynaphthalen-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=CC2=CC=CC=C21)OC)N(CCC)C(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations