Geometry & MOs

Info

ID:	283690
PubChem CID:	103998787
Reduced:	OSN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	14.01
Dipole, Da:	3.12
IP(EA), eV:	-9.31(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations