Geometry & MOs

Info

ID:	269431
PubChem CID:	103617472
Reduced:	ClION3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	388.04479
ΔH_f, kcal/mol:	12.77
Dipole, Da:	1.81
IP(EA), eV:	-9.28(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(C)NC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations