Geometry & MOs

Info

ID:	135117
PubChem CID:	51815971
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	358.225643
ΔH_f, kcal/mol:	-121.72
Dipole, Da:	4.16
IP(EA), eV:	-8.98(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1=CC(=CC=C1)O)C(=O)NC2CCCCC2)C(=O)C(=C)C

DOS

IR

Vibrations