Geometry & MOs

Info

ID:	346353
PubChem CID:	127270857
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-43.98
Dipole, Da:	7.06
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCO5)NN=C2

DOS

IR

Vibrations