Geometry & MOs

Info

ID:	25758
PubChem CID:	630493
Reduced:	FNOH20C22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	333.172024
ΔH_f, kcal/mol:	-30.01
Dipole, Da:	7.47
IP(EA), eV:	-8.64(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-heptyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(N2C3=CC=CC=C3F)C4=CC=CC=C4)C(=O)C1)C

DOS

IR

Vibrations