Geometry & MOs

Info

ID:	283673
PubChem CID:	103997679
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	316.02113
ΔH_f, kcal/mol:	-38.65
Dipole, Da:	4.54
IP(EA), eV:	-9.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1=CC2=C(CNC2)C=C1

DOS

IR

Vibrations