Geometry & MOs

Info

ID:	346519
PubChem CID:	127271023
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-58.79
Dipole, Da:	7.74
IP(EA), eV:	-8.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-(5-methyl-1H-indazole-7-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC(C3)NC(=O)C(C)C)NN=C2

DOS

IR

Vibrations