Geometry & MOs

Info

ID:	321881
PubChem CID:	126667173
Reduced:	F2O2N6H24C25 (1)
Stoich.:	A2B2C6D24E25 (1)
Weight, g/mol:	394.118967
ΔH_f, kcal/mol:	-21.49
Dipole, Da:	8.89
IP(EA), eV:	-8.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-(1-methylindol-7-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1CCCC12CN(C2)C3=CC(=C(C=C3)NC4=NC=CC(=N4)C5=NOC6=CC=CC=C65)OC(F)F

DOS

IR

Vibrations