Geometry & MOs

Info

ID:	274026
PubChem CID:	103806578
Reduced:	BrClON2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	377.99959
ΔH_f, kcal/mol:	-38.01
Dipole, Da:	3.76
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-(2-pyrrolidin-3-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CNCC1CCNC(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations