Geometry & MOs

Info

ID:	283672
PubChem CID:	103997589
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	61.37
Dipole, Da:	2.87
IP(EA), eV:	-8.6(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentan-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C)N=C1C3=CC4=C(CNC4)C=C3

DOS

IR

Vibrations