Geometry & MOs

Info

ID:	275307
PubChem CID:	103815063
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	256.226312
ΔH_f, kcal/mol:	34.98
Dipole, Da:	3.89
IP(EA), eV:	-8.58(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pentanamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC3=CC=CC=C3C=C2N

DOS

IR

Vibrations