Geometry & MOs

Info

ID:	210389
PubChem CID:	80798015
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	293.104338
ΔH_f, kcal/mol:	19.29
Dipole, Da:	4.23
IP(EA), eV:	-8.8(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=NC(=NC=C2Br)N

DOS

IR

Vibrations