Geometry & MOs

Info

ID:	36776
PubChem CID:	8012558
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	5.04
IP(EA), eV:	-8.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations