Geometry & MOs

Info

ID:	32006
PubChem CID:	3965914
Reduced:	N2O5H16C18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	417.1873
ΔH_f, kcal/mol:	-166.5
Dipole, Da:	3.85
IP(EA), eV:	-8.94(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(2,4-dimorpholin-4-yl-5-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)NC(=O)CCCC(=O)O

DOS

IR

Vibrations