Geometry & MOs

Info

ID:	79697
PubChem CID:	49830013
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	412.173327
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	7.16
IP(EA), eV:	-8.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(N2C3=C(N=C2N1CCCNC4=CC(=CC=C4)OC)N(C(=O)N(C3=O)C)C)C

DOS

IR

Vibrations