Geometry & MOs

Info

ID:	256374
PubChem CID:	103138839
Reduced:	FNOC17H26 (1)
Stoich.:	ABCD17E26 (1)
Weight, g/mol:	252.104482
ΔH_f, kcal/mol:	-102.06
Dipole, Da:	2.01
IP(EA), eV:	-8.99(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylthiadiazol-5-yl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CCCNCC(CC1CCC(O1)C)C2=CC=C(C=C2)F

DOS

IR

Vibrations