Geometry & MOs

Info

ID:	76275
PubChem CID:	48424711
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-117.19
Dipole, Da:	3.67
IP(EA), eV:	-8.56(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2CCN(CC2)C(=O)C(C)OCC3CC3

DOS

IR

Vibrations