Geometry & MOs

Info

ID:	283698
PubChem CID:	103999158
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-4.2
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-diethylpyrrolidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC(=O)C2=CC3=C(CNC3)C=C2

DOS

IR

Vibrations