Geometry & MOs

Info

ID:	330300
PubChem CID:	127247287
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	29.49
Dipole, Da:	1.39
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)CC(=O)N3CCCCC3C4=CC=NN4

DOS

IR

Vibrations