Geometry & MOs

Info

ID:	151858
PubChem CID:	56310676
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	7.25
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1C)C(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations