Geometry & MOs

Info

ID:	321960
PubChem CID:	126667534
Reduced:	ClFIO2H4N5C9 (1)
Stoich.:	ABCD2E4F5G9 (1)
Weight, g/mol:	484.233522
ΔH_f, kcal/mol:	53.02
Dipole, Da:	4.79
IP(EA), eV:	-9.98(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[4-(1H-indol-7-yl)-1,3,5-triazin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1[N+](=O)[O-])F)I)NC2=NC(=NC=N2)Cl

DOS

IR

Vibrations