Geometry & MOs

Info

ID:	255915
PubChem CID:	103135607
Reduced:	BFO4C12H16 (1)
Stoich.:	ABC4D12E16 (1)
Weight, g/mol:	293.167417
ΔH_f, kcal/mol:	-271.63
Dipole, Da:	3.17
IP(EA), eV:	-9.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

B(C1=CC(=C(C=C1)F)OCC2CCC(O2)C)(O)O

DOS

IR

Vibrations