Geometry & MOs

Info

ID:	153275
PubChem CID:	56312444
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-18.01
Dipole, Da:	4.59
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CN2C1=NC(=CC2=O)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations