Geometry & MOs

Info

ID:	238728
PubChem CID:	92765295
Reduced:	N3O4C18H27 (1)
Stoich.:	A3B4C18D27 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-149.66
Dipole, Da:	4.73
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)CN3CCN(CC3)CCO

DOS

IR

Vibrations