Geometry & MOs

Info

ID:	369459
PubChem CID:	127333441
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	357.208613
ΔH_f, kcal/mol:	-109.43
Dipole, Da:	1.68
IP(EA), eV:	-8.24(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(3-pyrrolidin-1-ylpiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3CCCC(C3)N4CCCC4

DOS

IR

Vibrations