Geometry & MOs

Info

ID:	135099
PubChem CID:	51813698
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	420.298808
ΔH_f, kcal/mol:	-112.02
Dipole, Da:	6.32
IP(EA), eV:	-8.37(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-hydroxy-3-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCC(=O)N(CCC)[C@@H](C1=CC=C(C=C1)N(C)C)C(=O)NC2CCCCC2

DOS

IR

Vibrations