Geometry & MOs

Info

ID:	3016
PubChem CID:	9049
Reduced:	ClN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	251.093773
ΔH_f, kcal/mol:	42.85
Dipole, Da:	2.03
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations