Geometry & MOs

Info

ID:	193530
PubChem CID:	78404047
Reduced:	N4C25H28 (1)
Stoich.:	A4B25C28 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	90.56
Dipole, Da:	2.85
IP(EA), eV:	-7.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-2-(5-phenyl-1,3-diazinan-2-ylidene)ethanone

Drug info:

PubChemData

Smile

CC1CC2=C3C=C(C=C(C3=NC(N2N1)C4=C(N(C(=C4)C)C5=CC=CC=C5)C)C)C

DOS

IR

Vibrations