Geometry & MOs

Info

ID:	366516
PubChem CID:	127320032
Reduced:	N3O3C20H35 (1)
Stoich.:	A3B3C20D35 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-176.32
Dipole, Da:	6.27
IP(EA), eV:	-9.06(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)CC3(CCCCC3)O

DOS

IR

Vibrations