Geometry & MOs

Info

ID:	238729
PubChem CID:	92765298
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	5.18
IP(EA), eV:	-8.72(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](C)NC(=O)CN2CCN(CC2)CCO)C

DOS

IR

Vibrations