Geometry & MOs

Info

ID:	267152
PubChem CID:	103581073
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	213.184112
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	2.86
IP(EA), eV:	-9.03(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2,4-dimethylpiperazin-1-yl)-2-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NC(=O)C(C)C(C)N

DOS

IR

Vibrations