Geometry & MOs

Info

ID:	260912
PubChem CID:	103209326
Reduced:	ClION2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	236.133634
ΔH_f, kcal/mol:	-3.55
Dipole, Da:	3.21
IP(EA), eV:	-9.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1C(CC1NC(=O)C2=CC(=C(C=C2)I)Cl)N

DOS

IR

Vibrations