Geometry & MOs

Info

ID:	364936
PubChem CID:	127316584
Reduced:	O2N4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	362.07422
ΔH_f, kcal/mol:	-42.32
Dipole, Da:	2.38
IP(EA), eV:	-8.59(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1H-indazol-3-yl)-(4-cyclobutylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N2CCN(CC2)C3CCC3)OC)C

DOS

IR

Vibrations