Geometry & MOs

Info

ID:	66276
PubChem CID:	46501258
Reduced:	I2O2N7H23C25 (1)
Stoich.:	A2B2C7D23E25 (1)
Weight, g/mol:	463.17165
ΔH_f, kcal/mol:	112.81
Dipole, Da:	1.45
IP(EA), eV:	-8.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-nitrophenyl)-2-N-[(Z)-(4-nitrophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1I)I)/C=N\NC2=NC(=NC(=N2)NC3=CC=CC4=CC=CC=C43)N5CCOCC5

DOS

IR

Vibrations