Geometry & MOs

Info

ID:	256365
PubChem CID:	103138779
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	196.041882
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	2.48
IP(EA), eV:	-8.69(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(thiadiazol-5-yl)methanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNCCOC)C2=CC=C(C=C2)C

DOS

IR

Vibrations