Geometry & MOs

Info

ID:	57939
PubChem CID:	24278768
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	54.73
Dipole, Da:	7.14
IP(EA), eV:	-8.54(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethylamino)phenyl]-1,3-dihydroisoindol-5-amine

Drug info:

PubChemData

Smile

C1C2=C(CN1CCCN3C=CN=C3)C=C(C=C2)N

DOS

IR

Vibrations