Geometry & MOs

Info

ID:	199440
PubChem CID:	79246034
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	233.073118
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	3.07
IP(EA), eV:	-8.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CCCN1C=CN=C(C1=O)NC(CO)C(C)C

DOS

IR

Vibrations