Geometry & MOs

Info

ID:	75657
PubChem CID:	48423807
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-14.93
Dipole, Da:	3.52
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=C2)NC(=O)C(C)OCC3CC3)C

DOS

IR

Vibrations