Geometry & MOs

Info

ID:	137553
PubChem CID:	52227184
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-136.45
Dipole, Da:	5.76
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)CCC(=O)N[C@@H](C)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations