Geometry & MOs

Info

ID:	145778
PubChem CID:	53591735
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	314.131366
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2CCN(CC2)C(=O)NCCC3=CCCCC3

DOS

IR

Vibrations