Geometry & MOs

Info

ID:	210083
PubChem CID:	80759769
Reduced:	FO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	341.02875
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	2.11
IP(EA), eV:	-8.39(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-bromo-2-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)NC2=CC3=C(C=C2)OCO3)F

DOS

IR

Vibrations