Geometry & MOs

Info

ID:	366515
PubChem CID:	127320031
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-100.29
Dipole, Da:	1.67
IP(EA), eV:	-9.07(0.37)
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-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2CCN(C2)CC3=CC=CC=C3)O

DOS

IR

Vibrations