Geometry & MOs

Info

ID:	345249
PubChem CID:	127269313
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	267.231063
ΔH_f, kcal/mol:	-3.44
Dipole, Da:	6.16
IP(EA), eV:	-9.08(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylazepan-1-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)C2=CC(=NC3=NNC(=C23)C)C

DOS

IR

Vibrations