Geometry & MOs

Info

ID:	347759
PubChem CID:	127272821
Reduced:	N3O4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-168.82
Dipole, Da:	4.62
IP(EA), eV:	-8.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(4,4-dimethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCCO3)C

DOS

IR

Vibrations