Geometry & MOs

Info

ID:	369506
PubChem CID:	127334248
Reduced:	N2O2C10H17 (2)
Stoich.:	A2B2C10D17 (2)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-201.88
Dipole, Da:	3.6
IP(EA), eV:	-9.13(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pentan-2-yl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2CCCO2)NC(=O)N3CCCC3

DOS

IR

Vibrations