Geometry & MOs

Info

ID:	312502
PubChem CID:	126606028
Reduced:	ClFO2N7C22H23 (1)
Stoich.:	ABC2D7E22F23 (1)
Weight, g/mol:	302.028
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	5.41
IP(EA), eV:	-8.61(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)-5-propan-2-ylbenzenecarboximidoyl iodide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(C1)F)NC(=O)C2=CNC3=NC=C(N=C23)C(=NC)C4=C(C=C(C=C4)Cl)NC

DOS

IR

Vibrations