Geometry & MOs

Info

ID:	28008
PubChem CID:	824807
Reduced:	ON3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	205.040675
ΔH_f, kcal/mol:	35.69
Dipole, Da:	2.81
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-phenylpyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)NNC2=O)C3=CC=CC=C3

DOS

IR

Vibrations