Geometry & MOs

Info

ID:	296129
PubChem CID:	117557328
Reduced:	BrO2N4C13H13 (1)
Stoich.:	AB2C4D13E13 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	3.72
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-6-(prop-2-enylamino)pyrimidin-4-yl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=C(C=C2)Br)NCC(=O)O

DOS

IR

Vibrations