Geometry & MOs

Info

ID:	28314
PubChem CID:	826984
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	265.073038
ΔH_f, kcal/mol:	-90.07
Dipole, Da:	5.22
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC=C(C=C1)Cl)N2CCCC2=O

DOS

IR

Vibrations