Geometry & MOs

Info

ID:	272222
PubChem CID:	103736012
Reduced:	ClION2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	406.03089
ΔH_f, kcal/mol:	23.76
Dipole, Da:	2.66
IP(EA), eV:	-9.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CCC1=CC=NC=C1)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations