Geometry & MOs

Info

ID:	347754
PubChem CID:	127272816
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	4.73
IP(EA), eV:	-8.47(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(4,4-dimethylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC(=O)NC2=C(C3=C(N2CC4CCCO4)CCCC3)C#N)C

DOS

IR

Vibrations