Geometry & MOs

Info

ID:	217600
PubChem CID:	85088086
Reduced:	N5O5H15C18 (1)
Stoich.:	A5B5C15D18 (1)
Weight, g/mol:	381.118552
ΔH_f, kcal/mol:	46.25
Dipole, Da:	12.66
IP(EA), eV:	-9.4(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dinitrophenyl)hydrazinylidene]-N-methyl-4-phenylpyrimidin-1-amine

Drug info:

PubChemData

Smile

CCNC1=CC(=O)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C31

DOS

IR

Vibrations