Geometry & MOs

Info

ID:	74093
PubChem CID:	48421450
Reduced:	ON3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	405.226371
ΔH_f, kcal/mol:	-45.9
Dipole, Da:	5.63
IP(EA), eV:	-8.52(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)NC3=CC=CC(=C3)C)C

DOS

IR

Vibrations