Geometry & MOs

Info

ID:	187133
PubChem CID:	77534555
Reduced:	SN3O4C32H45 (1)
Stoich.:	AB3C4D32E45 (1)
Weight, g/mol:	348.05857
ΔH_f, kcal/mol:	-184.45
Dipole, Da:	2.35
IP(EA), eV:	-8.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-1-(cyclopropylmethyl)benzotriazol-5-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)CC(C)(C)O)CC4=CC=CC=N4

DOS

IR

Vibrations