Geometry & MOs

Info

ID:	135089
PubChem CID:	51812326
Reduced:	NOC13H18 (2)
Stoich.:	ABC13D18 (2)
Weight, g/mol:	440.231122
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	3.03
IP(EA), eV:	-9.22(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-propylamino]-N-tert-butyl-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN([C@H](C1=CC=C(C=C1)C)C(=O)NC(C)(C)C)C(=O)C[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations