Geometry & MOs

Info

ID:	270183
PubChem CID:	103632657
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	328.00726
ΔH_f, kcal/mol:	-0.99
Dipole, Da:	4.49
IP(EA), eV:	-10.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanopropan-2-yl)-2-iodo-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations