Geometry & MOs

Info

ID:	196446
PubChem CID:	78828173
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	3.09
IP(EA), eV:	-8.83(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)C(=O)N1CCN(CC1)CC(=O)N2CCCCCC2

DOS

IR

Vibrations