Geometry & MOs

Info

ID:	173229
PubChem CID:	75611616
Reduced:	ClO5N7C15H16 (1)
Stoich.:	AB5C7D15E16 (1)
Weight, g/mol:	443.186987
ΔH_f, kcal/mol:	44.24
Dipole, Da:	1.04
IP(EA), eV:	-9.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(=O)ON=C(C1=NON=C1N)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations