Geometry & MOs

Info

ID:	209333
PubChem CID:	80654614
Reduced:	BrClON3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	5.23
Dipole, Da:	5.89
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(ethylamino)-6-methylpyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)C)COC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations