Geometry & MOs

Info

ID:	356736
PubChem CID:	127292217
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-70.58
Dipole, Da:	2.19
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations