Geometry & MOs

Info

ID:	264686
PubChem CID:	103482102
Reduced:	BrClN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	40.46
Dipole, Da:	6.04
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-tert-butyl-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC(N1)C2=CN=CN2C3=C(C(=CC=C3)Cl)Br

DOS

IR

Vibrations