Geometry & MOs

Info

ID:	209408
PubChem CID:	80666754
Reduced:	BrN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	331.0354
ΔH_f, kcal/mol:	35.3
Dipole, Da:	5.46
IP(EA), eV:	-8.69(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(bromomethyl)pyrrolidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC2CBr

DOS

IR

Vibrations