Geometry & MOs

Info

ID:	279570
PubChem CID:	103844363
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	277.140197
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	4.0
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NN(C(=O)N(C1=O)C)C)CO

DOS

IR

Vibrations