Geometry & MOs

Info

ID:	352965
PubChem CID:	127284056
Reduced:	SN4O4C16H22 (1)
Stoich.:	AB4C4D16E22 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-137.19
Dipole, Da:	3.9
IP(EA), eV:	-9.08(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(1-methylpyrrolidine-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CC(=O)N(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations