Geometry & MOs

Info

ID:	178260
PubChem CID:	76306334
Reduced:	NO2C12H17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	498.295454
ΔH_f, kcal/mol:	-161.94
Dipole, Da:	5.4
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)N2CCCC(C2)C(=O)NC3CCCCC3)OC

DOS

IR

Vibrations