Geometry & MOs

Info

ID:	415807
PubChem CID:	135088808
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	333.252861
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	4.41
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=N1)CNC(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations