Geometry & MOs

Info

ID:	252586
PubChem CID:	103112487
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	357.01466
ΔH_f, kcal/mol:	-119.31
Dipole, Da:	1.13
IP(EA), eV:	-10.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(5-bromothiophen-2-yl)methyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC(=O)NCC(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations