Geometry & MOs

Info

ID:	255
PubChem CID:	2429
Reduced:	BrO2N5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	369.08004
ΔH_f, kcal/mol:	-0.48
Dipole, Da:	3.91
IP(EA), eV:	-9.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1OCCCOC2=CC=C(C=C2)Br)N)N)C

DOS

IR

Vibrations