Geometry & MOs

Info

ID:	415838
PubChem CID:	135088840
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	275.13578
ΔH_f, kcal/mol:	-51.19
Dipole, Da:	3.31
IP(EA), eV:	-8.47(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OC)CN2C[C@@H]3COC[C@H](C2)NC3=O

DOS

IR

Vibrations