Geometry & MOs

Info

ID:	261199
PubChem CID:	103222196
Reduced:	FINOCl3H6C13 (1)
Stoich.:	ABCDE3F6G13 (1)
Weight, g/mol:	377.00434
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	3.58
IP(EA), eV:	-9.63(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C=C2Cl)F)Cl)Cl)I

DOS

IR

Vibrations