Geometry & MOs

Info

ID:	66278
PubChem CID:	46501264
Reduced:	O3N8C21H22 (1)
Stoich.:	A3B8C21D22 (1)
Weight, g/mol:	466.171316
ΔH_f, kcal/mol:	76.69
Dipole, Da:	11.42
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(E)-[[4-morpholin-4-yl-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC(=CC=C3)O)NC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations