Geometry & MOs

Info

ID:	434808
PubChem CID:	135175744
Reduced:	NC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	301.236542
ΔH_f, kcal/mol:	9.09
Dipole, Da:	1.83
IP(EA), eV:	-9.32(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]propanamide

Drug info:

PubChemData

Smile

CCC(C)/C=C(\C=NC)/C1CCC1

DOS

IR

Vibrations