Geometry & MOs

Info

ID:	135113
PubChem CID:	51815666
Reduced:	N3O7C22H27 (1)
Stoich.:	A3B7C22D27 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-200.02
Dipole, Da:	8.33
IP(EA), eV:	-9.38(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=C(C=C1O)O)O)N(CCC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations