Geometry & MOs

Info

ID:	74570
PubChem CID:	48422100
Reduced:	N3O4C17H31 (1)
Stoich.:	A3B4C17D31 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-164.87
Dipole, Da:	3.63
IP(EA), eV:	-9.15(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC(=O)NCCCOC)OCC2CC2

DOS

IR

Vibrations