Geometry & MOs

Info

ID:	286800
PubChem CID:	104222425
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	301.115045
ΔH_f, kcal/mol:	27.69
Dipole, Da:	3.76
IP(EA), eV:	-8.9(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=NC=C(C=N2)CNCCOC)C

DOS

IR

Vibrations