Geometry & MOs

Info

ID:	344589
PubChem CID:	127268173
Reduced:	O2N5C16H23 (1)
Stoich.:	A2B5C16D23 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	4.35
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(3-methylpyrrolidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(C1)CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N

DOS

IR

Vibrations