Geometry & MOs

Info

ID:	292249
PubChem CID:	114541349
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	291.242296
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	5.33
IP(EA), eV:	-9.34(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCC(C1)N2CC(CC2=O)CO)C

DOS

IR

Vibrations