Geometry & MOs

Info

ID:	75426
PubChem CID:	48423459
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	5.28
IP(EA), eV:	-9.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations