Geometry & MOs

Info

ID:	286821
PubChem CID:	104222519
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	301.115045
ΔH_f, kcal/mol:	54.56
Dipole, Da:	6.44
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCC1=NC=CN1C2=NC=C(C=N2)CNC(C)C

DOS

IR

Vibrations