Geometry & MOs

Info

ID:	233448
PubChem CID:	90944515
Reduced:	FON2C29H33 (1)
Stoich.:	ABC2D29E33 (1)
Weight, g/mol:	284.00212
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	4.65
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-propyltriazol-1-yl)-(triazol-1-yl)methanone

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC2=C(C=C1)C(CCC2)N(C)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations