Geometry & MOs

Info

ID:	74076
PubChem CID:	48421426
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-26.99
Dipole, Da:	7.78
IP(EA), eV:	-8.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylimidazol-2-yl)-2-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations