Geometry & MOs

Info

ID:	188871
PubChem CID:	77777158
Reduced:	ClO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	470.205301
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	4.28
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-benzodioxol-5-yl)-1-[2-(diethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidin-3-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)N2CCCC(C2)NC3=NC=CC=N3)Cl

DOS

IR

Vibrations