Geometry & MOs

Info

ID:	174757
PubChem CID:	75811678
Reduced:	ON3C11H14 (2)
Stoich.:	AB3C11D14 (2)
Weight, g/mol:	418.294391
ΔH_f, kcal/mol:	-17.83
Dipole, Da:	2.57
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CC2=CC=CC=C2CNC(=O)CN3C=NC4=C(C3=O)C=NN4C

DOS

IR

Vibrations