Geometry & MOs

Info

ID:	28422
PubChem CID:	827477
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	299.142248
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	2.84
IP(EA), eV:	-9.42(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-anthracen-2-yl-4,6-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)OC

DOS

IR

Vibrations