Geometry & MOs

Info

ID:	336831
PubChem CID:	127255838
Reduced:	ClNOC7H14 (1)
Stoich.:	ABCD7E14 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	2.74
IP(EA), eV:	-9.43(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-bis(4-formylphenyl)-1,3,5-triazinan-1-yl]benzaldehyde

Drug info:

PubChemData

Smile

C1CC1C2CNCCO2.Cl

DOS

IR

Vibrations