Geometry & MOs

Info

ID:	206308
PubChem CID:	80228547
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-30.64
Dipole, Da:	3.83
IP(EA), eV:	-8.47(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-aminophenyl)-2-hydroxyethyl]-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2CCN(C(=O)C2(C)C)C)N

DOS

IR

Vibrations