Geometry & MOs

Info

ID:	357106
PubChem CID:	127293332
Reduced:	ON5C17H31 (1)
Stoich.:	AB5C17D31 (1)
Weight, g/mol:	279.20591
ΔH_f, kcal/mol:	-37.92
Dipole, Da:	5.58
IP(EA), eV:	-8.24(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imidazol-1-yl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)NC(C)CN2CCN(CC2)C

DOS

IR

Vibrations