Geometry & MOs

Info

ID:	15018
PubChem CID:	427303
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	5.07
IP(EA), eV:	-9.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)O)N)N)C

DOS

IR

Vibrations