Geometry & MOs

Info

ID:	357320
PubChem CID:	127293953
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	2.29
IP(EA), eV:	-8.57(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(2-indazol-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CN2C3=CC=CC=C3C=N2)N4CCOCC4

DOS

IR

Vibrations