Geometry & MOs

Info

ID:	352942
PubChem CID:	127284033
Reduced:	ClON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	29.17
Dipole, Da:	6.74
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations