Geometry & MOs

Info

ID:	356760
PubChem CID:	127292300
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-20.3
Dipole, Da:	4.4
IP(EA), eV:	-8.39(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-oxopiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NC3CCCC4=C3C=NN4C

DOS

IR

Vibrations