Geometry & MOs

Info

ID:	260918
PubChem CID:	103209519
Reduced:	N2O2F3C9H17 (1)
Stoich.:	A2B2C3D9E17 (1)
Weight, g/mol:	406.98975
ΔH_f, kcal/mol:	-264.31
Dipole, Da:	5.27
IP(EA), eV:	-9.8(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodobenzoyl)-N-methylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CN)NC(=O)COCC(F)(F)F

DOS

IR

Vibrations