Geometry & MOs

Info

ID:	238727
PubChem CID:	92765291
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-172.4
Dipole, Da:	4.49
IP(EA), eV:	-9.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)N2CC(=O)NC(=O)C2)N3CC(=O)NC(=O)C3

DOS

IR

Vibrations