Geometry & MOs

Info

ID:	367103
PubChem CID:	127323196
Reduced:	O2N3C23H41 (1)
Stoich.:	A2B3C23D41 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	5.3
IP(EA), eV:	-9.02(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-propan-2-ylazepan-1-yl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCCN(CC1)CC(=O)NC2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations