Geometry & MOs

Info

ID:	27284
PubChem CID:	820221
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	15.5
Dipole, Da:	5.08
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-4-chloro-6-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)C)O

DOS

IR

Vibrations