Geometry & MOs

Info

ID:	438687
PubChem CID:	135228437
Reduced:	NOC20H31 (1)
Stoich.:	ABC20D31 (1)
Weight, g/mol:	468.229204
ΔH_f, kcal/mol:	-77.08
Dipole, Da:	3.51
IP(EA), eV:	-9.38(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-(4-chloro-3-ethylphenoxy)butyl]-6H-cyclohepta[d]imidazol-2-yl]-1-(methylaminomethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCCC2=CC=CC=C2)(C)C

DOS

IR

Vibrations