Geometry & MOs

Info

ID:	183399
PubChem CID:	77018047
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-29.28
Dipole, Da:	4.28
IP(EA), eV:	-9.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-2-phenylethyl)-1-ethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCN1CCC(=O)N(C1=O)CC2=C(N=CC=C2)C#N

DOS

IR

Vibrations