Geometry & MOs

Info

ID:	188505
PubChem CID:	77725643
Reduced:	N3O3C29H35 (1)
Stoich.:	A3B3C29D35 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-56.02
Dipole, Da:	7.7
IP(EA), eV:	-9.06(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenacylidene-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

CN(CCN(CCC(C1=CC=CC=C1)C(=O)O)CC2=CC=CC=C2)NC(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations