Geometry & MOs

Info

ID:	15966
PubChem CID:	456598
Reduced:	ON5C11H15 (1)
Stoich.:	AB5C11D15 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	7.88
Dipole, Da:	3.97
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations