Geometry & MOs

Info

ID:	270945
PubChem CID:	103638894
Reduced:	N2O2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	453.91777
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	3.31
IP(EA), eV:	-9.0(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-cyanoethyl)-2-iodo-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCNC(C)(C)C(=O)NCCC1=CC=CC=C1OC

DOS

IR

Vibrations