Geometry & MOs

Info

ID:	315998
PubChem CID:	126629593
Reduced:	FC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	316.177837
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	1.77
IP(EA), eV:	-9.35(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-4-[(NZ)-N-chloroimino-N'-ethylcarbamimidoyl]-3-methylpiperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CCC=C(C)CCC(=C)F

DOS

IR

Vibrations