Geometry & MOs

Info

ID:	66279
PubChem CID:	46501268
Reduced:	O5N8C21H22 (1)
Stoich.:	A5B8C21D22 (1)
Weight, g/mol:	436.160751
ΔH_f, kcal/mol:	11.5
Dipole, Da:	5.5
IP(EA), eV:	-8.66(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-morpholin-4-yl-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N/NC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)O

DOS

IR

Vibrations