Geometry & MOs

Info

ID:	189581
PubChem CID:	77875907
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	371.018809
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	6.65
IP(EA), eV:	-9.69(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-diamino-4-(2,5-dichlorophenyl)-2H-1,3,5-triazin-1-yl]but-2-enedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(C1C2=CC(=NC(=C2)C)C)C

DOS

IR

Vibrations