Geometry & MOs

Info

ID:	271353
PubChem CID:	103656436
Reduced:	ON2F3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	-207.67
Dipole, Da:	6.53
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpyrimidin-4-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC(CC)C(CNC1=NC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations