Geometry & MOs

Info

ID:	79631
PubChem CID:	49829786
Reduced:	NO5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	411.239616
ΔH_f, kcal/mol:	-226.56
Dipole, Da:	6.87
IP(EA), eV:	-9.06(0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-[[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CC2C3C(C[C@]4(CCCC([C@]45C3O5)C)C)OC2=O

DOS

IR

Vibrations