Geometry & MOs

Info

ID:	252864
PubChem CID:	103114682
Reduced:	BrClN2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	31.47
Dipole, Da:	4.87
IP(EA), eV:	-9.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(cyclobutylmethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations