Geometry & MOs

Info

ID:	346855
PubChem CID:	127271359
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	5.86
IP(EA), eV:	-9.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)CC2=C(N(N=N2)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations