Geometry & MOs

Info

ID:	15025
PubChem CID:	427453
Reduced:	ON5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	4.15
Dipole, Da:	3.92
IP(EA), eV:	-8.91(-0.31)
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)phenyl]methanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations