Geometry & MOs

Info

ID:	365485
PubChem CID:	127317905
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	5.63
IP(EA), eV:	-8.64(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC3CCCC4=C3C=NN4C

DOS

IR

Vibrations