Geometry & MOs

Info

ID:	337257
PubChem CID:	127256822
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	410.14303
ΔH_f, kcal/mol:	-139.94
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylpiperazin-1-yl)propyl 3-(iodomethyl)-2,2-dimethylpentanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)/C=C\2/CCOC2=O)[N+](=O)[O-])OCC

DOS

IR

Vibrations