Geometry & MOs

Info

ID:	354630
PubChem CID:	127287247
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-84.27
Dipole, Da:	3.12
IP(EA), eV:	-8.41(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCCC1C2=CC3=C(C=C2)OCCO3)N(C)C4CC4

DOS

IR

Vibrations