Geometry & MOs

Info

ID:	183560
PubChem CID:	77040533
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-37.22
Dipole, Da:	3.73
IP(EA), eV:	-8.94(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(cyclopropylamino)methyl]-2-(3-ethoxyphenyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCNCC1CC(=O)NC(N1)CC2=CC=C(C=C2)C

DOS

IR

Vibrations