Geometry & MOs

Info

ID:	355880
PubChem CID:	127290732
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	4.22
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroisoindol-2-yl-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)CN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations