Geometry & MOs

Info

ID:	69021
PubChem CID:	46515660
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-127.68
Dipole, Da:	8.48
IP(EA), eV:	-9.34(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC1CCCC1)N2CCN(CC2)CC(=O)NCC=C

DOS

IR

Vibrations