Geometry & MOs

Info

ID:	275544
PubChem CID:	103816550
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	393.91777
ΔH_f, kcal/mol:	-133.58
Dipole, Da:	3.77
IP(EA), eV:	-9.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminopyrrolidin-1-yl]-(5-bromo-2-iodophenyl)methanone

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)OC)NC(=O)C1=C(C=C(N=C1)C)Cl

DOS

IR

Vibrations