Geometry & MOs

Info

ID:	432285
PubChem CID:	135172418
Reduced:	ON7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	281.283098
ΔH_f, kcal/mol:	60.61
Dipole, Da:	3.17
IP(EA), eV:	-8.57(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-dimethyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC(=C(C(=C2)NCC3=NC=CC=N3)C(=N)C(C)C)NC

DOS

IR

Vibrations