Geometry & MOs

Info

ID:	209952
PubChem CID:	80742706
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	1.98
IP(EA), eV:	-7.94(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-5-propoxyphenyl)-1,3,3-trimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)N(C)C2CCC(CC2)(C)C)N

DOS

IR

Vibrations