Geometry & MOs

Info

ID:	74113
PubChem CID:	48421477
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-172.69
Dipole, Da:	2.3
IP(EA), eV:	-8.58(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1,3-benzodioxol-5-ylcarbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CCC(=O)OCC)C(=O)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations